Chembase list of 866358 unique molecular structures

3-(3-chlorophenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C17H15ClO3

Suppliers	Catalog Number
Apollo Scientific	OR28005

Database	Data ID
PubChem	5374036

M. W.

302.7522

CAS

Similarity

N/A

ID: 85052

3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C17H14Cl2O3

Suppliers	Catalog Number
Apollo Scientific	OR28006

Database	Data ID
PubChem	5712167

M. W.

337.19726

CAS

Similarity

N/A

ID: 85053

3-(2,6-dichlorophenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C17H14Cl2O3

Suppliers	Catalog Number
Apollo Scientific	OR28007

Database	Data ID
PubChem	5712168

M. W.

337.19726

CAS

Similarity

N/A

ID: 85054

3-(2H-1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C18H16O5

Suppliers	Catalog Number
Apollo Scientific	OR28008

Database	Data ID
PubChem	5319619

M. W.

312.31664

CAS

Similarity

N/A

ID: 85055

4,5-dichloro-1,2,3,6-tetrahydropyridazine-3,6-dione

$$$$ Data

M. F.

C4H2Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR28009

Database	Data ID
PubChem	241446

M. W.

180.97688

CAS

Similarity

N/A

ID: 85056

(2S)-1-aminopyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C5H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR2800T

Database	Data ID
PubChem	97357

M. W.

130.1451

CAS

Similarity

N/A

ID: 85057

N-(2,2-diethoxyethyl)ethanediamide

$$$$ Data

M. F.

C8H16N2O4

Suppliers	Catalog Number
Apollo Scientific	OR28010

Database	Data ID
PubChem	2795091

M. W.

204.22364

CAS

Similarity

N/A

ID: 85058

5,6-diamino-3,4-dihydropyrimidine-4-thione

$$$$ Data

M. F.

C4H6N4S

Suppliers	Catalog Number
Apollo Scientific	OR28011

Database	Data ID
PubChem	1201414

M. W.

142.18224

CAS

Similarity

N/A

ID: 85059

4-chloro-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C16H12ClNO

Suppliers	Catalog Number
Apollo Scientific	OR28012

Database	Data ID
PubChem	737066

M. W.

269.72558

CAS

Similarity

N/A

ID: 85060

4-chloro-1,3-diphenyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C21H14ClNO

Suppliers	Catalog Number
Apollo Scientific	OR28013

Database	Data ID
PubChem	2784994

M. W.

331.79496

CAS

Similarity

N/A

ID: 85061

ethyl 4-amino-3-bromo-5-cyano-2-hydroxybenzoate

$$$$ Data

M. F.

C10H9BrN2O3

Suppliers	Catalog Number
Apollo Scientific	OR28014

Database	Data ID
PubChem	2786682

M. W.

285.09406

CAS

Similarity

N/A

ID: 85062

2-acetamidoethyl acetate

$$$$ Data

M. F.

C6H11NO3

Suppliers	Catalog Number
Apollo Scientific	OR28015

Database	Data ID
PubChem	85319

M. W.

145.15644

CAS

Similarity

N/A

ID: 85063

6-methyl-2,3-dihydro-1H-inden-1-one

$$$$ Data More

M. F.

C10H10O

Suppliers	Catalog Number
Sigma Aldrich	423734
Alfa Aesar	L17559
Apollo Scientific	OR28016

Database	Data ID
PubChem	2795093

M. W.

146.1858

CAS

24623-20-9

Similarity

N/A

ID: 85064

ethyl 2-benzyl-3-oxobutanoate

$$$$ Data More

M. F.

C13H16O3

Suppliers	Catalog Number
Sigma Aldrich	E13202
MP Biomedicals	05203401
Alfa Aesar	L01573

Database	Data ID
PubChem	246929

M. W.

220.26434

CAS

620-79-1

Similarity

N/A

ID: 85065

2-(2-aminoacetamido)propanoic acid

$$$$ Data

M. F.

C5H10N2O3

Suppliers	Catalog Number
MP Biomedicals	02105570 02101842
Apollo Scientific	OR28018
InterBioScreen	BB_NC-1486

Database	Data ID
PubChem	98153

M. W.

146.1445

CAS

691-81-6

Similarity

N/A

ID: 85066

1-(2-hydroxy-4-methoxyphenyl)-3-methylbut-2-en-1-one

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Apollo Scientific	OR28019

Database	Data ID
PubChem	10899766

M. W.

206.23776

CAS

Similarity

N/A

ID: 85067

(1R)-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3...

$$$$ Data

M. F.

C16H22O6

Suppliers	Catalog Number
Apollo Scientific	OR2801T

Database	Data ID
PubChem	11088188

M. W.

310.34228

CAS

22529-61-9

Similarity

N/A

ID: 85068

3-(3-hydroxy-4-methoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C20H16O3

Suppliers	Catalog Number
Apollo Scientific	OR28020

Database	Data ID
PubChem	5712169

M. W.

304.33924

CAS

Similarity

N/A

ID: 85069

3-(2,4-dichlorophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C19H12Cl2O

Suppliers	Catalog Number
Apollo Scientific	OR28021

Database	Data ID
PubChem	5378365

M. W.

327.20398

CAS

Similarity

N/A

ID: 85070

3-(2,6-dichlorophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C19H12Cl2O

Suppliers	Catalog Number
Apollo Scientific	OR28022

Database	Data ID
PubChem	5712170

M. W.

327.20398

CAS

Similarity

N/A

ID: 85071

3-(3-chlorophenyl)-1-(phenanthren-3-yl)prop-2-en-1-one

$$$$ Data

M. F.

C23H15ClO

Suppliers	Catalog Number
Apollo Scientific	OR28023

Database	Data ID
PubChem	5712171

M. W.

342.8176

CAS

Similarity

N/A

ID: 85072

3-(4-chlorophenyl)-1-(phenanthren-3-yl)prop-2-en-1-one

$$$$ Data

M. F.

C23H15ClO

Suppliers	Catalog Number
Apollo Scientific	OR28024

Database	Data ID
PubChem	5712172

M. W.

342.8176

CAS

Similarity

N/A

ID: 85073

3-(2,4-dichlorophenyl)-1-(phenanthren-3-yl)prop-2-en-1-one

$$$$ Data

M. F.

C23H14Cl2O

Suppliers	Catalog Number
Apollo Scientific	OR28025

Database	Data ID
PubChem	5712173

M. W.

377.26266

CAS

Similarity

N/A

ID: 85074

3-(2,6-dichlorophenyl)-1-(phenanthren-3-yl)prop-2-en-1-one

$$$$ Data

M. F.

C23H14Cl2O

Suppliers	Catalog Number
Apollo Scientific	OR28026

Database	Data ID
PubChem	5712174

M. W.

377.26266

CAS

Similarity

N/A

ID: 85075

1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C14H12O2

Suppliers	Catalog Number
Apollo Scientific	OR28027

Database	Data ID
PubChem	5712175

M. W.

212.24388

CAS

Similarity

N/A

ID: 85076

3-(4-chlorophenyl)-1-(furan-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C13H9ClO2

Suppliers	Catalog Number
Apollo Scientific	OR28028

Database	Data ID
PubChem	5712176

M. W.

232.66236

CAS

Similarity

N/A

ID: 85077

3-(4-bromophenyl)-1-(furan-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C13H9BrO2

Suppliers	Catalog Number
Apollo Scientific	OR28029

Database	Data ID
PubChem	5712177

M. W.

277.11336

CAS

Similarity

N/A

ID: 85078

1-(furan-2-yl)-3-(naphthalen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C17H12O2

Suppliers	Catalog Number
Apollo Scientific	OR28030

Database	Data ID
PubChem	5712178

M. W.

248.27598

CAS

Similarity

N/A

ID: 85079

3-(anthracen-9-yl)-1-(furan-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C21H14O2

Suppliers	Catalog Number
Apollo Scientific	OR28031

Database	Data ID
PubChem	5712179

M. W.

298.33466

CAS

Similarity

N/A

ID: 85080

1-(3-bromophenyl)-3-(naphthalen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C19H13BrO

Suppliers	Catalog Number
Apollo Scientific	OR28032

Database	Data ID
PubChem	5712180

M. W.

337.20992

CAS

Similarity

N/A

ID: 85081

3-(anthracen-9-yl)-1-(phenanthren-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C31H20O

Suppliers	Catalog Number
Apollo Scientific	OR28033

Database	Data ID
PubChem	5712181

M. W.

408.4899

CAS

Similarity

N/A

ID: 85082

3-(anthracen-9-yl)-1-(phenanthren-9-yl)prop-2-en-1-one

$$$$ Data

M. F.

C31H20O

Suppliers	Catalog Number
Apollo Scientific	OR28034

Database	Data ID
PubChem	5712182

M. W.

408.4899

CAS

Similarity

N/A

ID: 85083

3-(anthracen-9-yl)-1-(3-methylphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C24H18O

Suppliers	Catalog Number
Apollo Scientific	OR28035

Database	Data ID
PubChem	5712183

M. W.

322.39912

CAS

Similarity

N/A

ID: 85084

3-(anthracen-9-yl)-1-(4-methylphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C24H18O

Suppliers	Catalog Number
Apollo Scientific	OR28036

Database	Data ID
PubChem	5712184

M. W.

322.39912

CAS

Similarity

N/A

ID: 85085

(2R)-2-(2-chloroacetamido)-4-methylpentanoic acid

$$$$ Data

M. F.

C8H14ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR28037

Database	Data ID
PubChem	15113622

M. W.

207.65466

CAS

Similarity

N/A

ID: 85086

(3S)-4-(dimethylamino)-3-hydroxybutanoic acid

$$$$ Data

M. F.

C6H13NO3

Suppliers	Catalog Number
Apollo Scientific	OR28038

Database	Data ID
PubChem	7000038

M. W.

147.17232

CAS

Similarity

N/A

ID: 85087

(2S)-2-(2-chloroacetamido)butanedioic acid

$$$$ Data

M. F.

C6H8ClNO5

Suppliers	Catalog Number
Apollo Scientific	OR28040

Database	Data ID
PubChem	2795111

M. W.

209.58442

CAS

Similarity

N/A

ID: 85088

(2R)-2-(2-chloroacetamido)hexanoic acid

$$$$ Data

M. F.

C8H14ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR28042

Database	Data ID
PubChem	45933858

M. W.

207.65466

CAS

Similarity

N/A

ID: 85089

(2R)-2-(2-chloroacetamido)-3-(4-hydroxyphenyl)propanoic acid

$$$$ Data

M. F.

C11H12ClNO4

Suppliers	Catalog Number
Apollo Scientific	OR28043

Database	Data ID
PubChem	25021406

M. W.

257.67028

CAS

Similarity

N/A

ID: 85090

(2R)-2-(2-chloroacetamido)propanoic acid

$$$$ Data

M. F.

C5H8ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR28044

Database	Data ID
PubChem	2795116

M. W.

165.57492

CAS

Similarity

N/A

ID: 85091

(2R)-2-(2-chloroacetamido)-4-(methylsulfanyl)butanoic acid

$$$$ Data

M. F.

C7H12ClNO3S

Suppliers	Catalog Number
Apollo Scientific	OR28045

Database	Data ID
PubChem	45933859

M. W.

225.69308

CAS

Similarity

N/A

ID: 85092

(2R)-2-(2-chloroacetamido)pentanoic acid

$$$$ Data

M. F.

C7H12ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR28046

Database	Data ID
PubChem	45933860

M. W.

193.62808

CAS

Similarity

N/A

ID: 85093

(2S)-2-(2-chloroacetamido)-3-phenylpropanoic acid

$$$$ Data

M. F.

C11H12ClNO3

Suppliers	Catalog Number
Sigma Aldrich	C1503
Apollo Scientific	OR28047

Database	Data ID
PubChem	737070

M. W.

241.67088

CAS

721-65-3

Similarity

N/A

ID: 85094

2-(2-bromopropanamido)propanoic acid

$$$$ Data

M. F.

C6H10BrNO3

Suppliers	Catalog Number
Apollo Scientific	OR28048

Database	Data ID
PubChem	97933

M. W.

224.0525

CAS

Similarity

N/A

ID: 85095

(2R)-2-(2-chloroacetamido)-3-methylbutanoic acid

$$$$ Data

M. F.

C7H12ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR28049

Database	Data ID
PubChem	1549716

M. W.

193.62808

CAS

Similarity

N/A

ID: 85096

(2R)-2-(2-chloroacetamido)pentanedioic acid

$$$$ Data

M. F.

C7H10ClNO5

Suppliers	Catalog Number
Apollo Scientific	OR28051

Database	Data ID
PubChem	45933861

M. W.

223.611

CAS

Similarity

N/A

ID: 85097

2,6-bis[(tert-butyldiphenylsilyl)oxy]-9,10-dihydroanthracene-9,10-dione

$$$$ Data

M. F.

C46H44O4Si2

Suppliers	Catalog Number
Apollo Scientific	OR28052

Database	Data ID
PubChem	2795123

M. W.

717.01016

CAS

Similarity

N/A

ID: 85098

3-[(2,4,5,7-tetranitro-9H-fluoren-9-ylidene)methyl]furan

$$$$ Data

M. F.

C18H8N4O9

Suppliers	Catalog Number
Apollo Scientific	OR28053

Database	Data ID
PubChem	3433422

M. W.

424.27752

CAS

Similarity

N/A

ID: 85099

3-[(2,4,7-trinitro-9H-fluoren-9-ylidene)methyl]furan

$$$$ Data

M. F.

C18H9N3O7

Suppliers	Catalog Number
Apollo Scientific	OR28054

Database	Data ID
PubChem	44119034

M. W.

379.27996

CAS

Similarity

N/A

ID: 85100

2,7-dinitro-N-(3-nitrophenyl)-9-oxo-9H-fluorene-4-carboxamide

$$$$ Data

M. F.

C20H10N4O8

Suppliers	Catalog Number
Apollo Scientific	OR28055

Database	Data ID
PubChem	4104991

M. W.

434.3154

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified