Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H12O5

Suppliers	Catalog Number
Matrix Scientific	024098

Database	Data ID
PubChem	245422

M. W.

176.16718

CAS

Similarity

N/A

ID: 21752

3-bromo-4-(3-methylbutoxy)benzoic acid

$$$$ Data

M. F.

C12H15BrO3

Suppliers	Catalog Number
Matrix Scientific	024099
A&J Pharmtech	AJA-O9114

Database	Data ID
PubChem	16641238

M. W.

287.1497

CAS

881596-09-4

Similarity

N/A

ID: 21753

2,4-diethoxybenzoic acid

$$$$ Data

M. F.

C11H14O4

Suppliers	Catalog Number
Sigma Aldrich	528684
Matrix Scientific	024100

Database	Data ID
PubChem	4426314

M. W.

210.22646

CAS

19074-30-7

Similarity

N/A

ID: 21754

3-bromo-4-propoxybenzoic acid

$$$$ Data

M. F.

C10H11BrO3

Suppliers	Catalog Number
Matrix Scientific	024101
A&J Pharmtech	AJA-O5367

Database	Data ID
PubChem	8707153

M. W.

259.09654

CAS

849509-45-1

Similarity

N/A

ID: 21755

5-bromo-2-(hexyloxy)benzoic acid

$$$$ Data

M. F.

C13H17BrO3

Suppliers	Catalog Number
Matrix Scientific	024102

Database	Data ID
PubChem	12326164

M. W.

301.17628

CAS

Similarity

N/A

ID: 21756

5-bromo-2-butoxybenzoic acid

$$$$ Data

M. F.

C11H13BrO3

Suppliers	Catalog Number
Matrix Scientific	024103

Database	Data ID
PubChem	2064161

M. W.

273.12312

CAS

Similarity

N/A

ID: 21757

2-(2-bromo-4-tert-butylphenoxy)acetic acid

$$$$ Data

M. F.

C12H15BrO3

Suppliers	Catalog Number
Matrix Scientific	024104

Database	Data ID
PubChem	349875

M. W.

287.1497

CAS

Similarity

N/A

ID: 21758

5-bromo-2-(3-methylbutoxy)benzoic acid

$$$$ Data

M. F.

C12H15BrO3

Suppliers	Catalog Number
Matrix Scientific	024105

Database	Data ID
PubChem	11839089

M. W.

287.1497

CAS

Similarity

N/A

ID: 21759

5-bromo-2-propoxybenzoic acid

$$$$ Data

M. F.

C10H11BrO3

Suppliers	Catalog Number
Matrix Scientific	024106

Database	Data ID
PubChem	4094424

M. W.

259.09654

CAS

Similarity

N/A

ID: 21760

5-oxo-5-{3-oxo-2-[2-oxo-2-(2-phenylethoxy)ethyl]piperazin-1-yl}pentanoic acid

$$$$ Data

M. F.

C19H24N2O6

Suppliers	Catalog Number
Matrix Scientific	024107

Database	Data ID
PubChem	4949708

M. W.

376.40366

CAS

Similarity

N/A

ID: 21761

3-bromo-4-(2-methylpropoxy)benzoic acid

$$$$ Data

M. F.

C11H13BrO3

Suppliers	Catalog Number
Matrix Scientific	024108
A&J Pharmtech	AJA-O4114

Database	Data ID
PubChem	11839086

M. W.

273.12312

CAS

881583-05-7

Similarity

N/A

ID: 21762

5-bromo-2-ethoxybenzoic acid

$$$$ Data

M. F.

C9H9BrO3

Suppliers	Catalog Number
Matrix Scientific	024109

Database	Data ID
PubChem	5209920

M. W.

245.06996

CAS

60783-90-6

Similarity

N/A

ID: 21763

3-bromo-4-(propan-2-yloxy)benzoic acid

$$$$ Data

M. F.

C10H11BrO3

Suppliers	Catalog Number
Matrix Scientific	024110

Database	Data ID
PubChem	16641239

M. W.

259.09654

CAS

Similarity

N/A

ID: 21764

2-(2-methoxyethoxy)benzoic acid

$$$$ Data

M. F.

C10H12O4

Suppliers	Catalog Number
Matrix Scientific	024111
Enamine	EN300-53441

Database	Data ID
PubChem	13417103

M. W.

196.19988

CAS

Similarity

N/A

ID: 21765

3-bromo-4-(2-methoxyethoxy)benzoic acid

$$$$ Data

M. F.

C10H11BrO4

Suppliers	Catalog Number
Matrix Scientific	024112

Database	Data ID
PubChem	11839085

M. W.

275.09594

CAS

Similarity

N/A

ID: 21766

2-(2,4-di-tert-butylphenoxy)acetic acid

$$$$ Data

M. F.

C16H24O3

Suppliers	Catalog Number
Matrix Scientific	024113
Enamine	EN300-13181

Database	Data ID
PubChem	794760

M. W.

264.35996

CAS

18327-79-2

Similarity

N/A

ID: 21767

5-bromo-2-(2-methoxyethoxy)benzoic acid

$$$$ Data

M. F.

C10H11BrO4

Suppliers	Catalog Number
Matrix Scientific	024114

Database	Data ID
PubChem	5209925

M. W.

275.09594

CAS

Similarity

N/A

ID: 21768

2-(propan-2-yloxy)benzoic acid

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Matrix Scientific	024115
Enamine	EN300-70611

Database	Data ID
PubChem	12357674

M. W.

180.20048

CAS

Similarity

N/A

ID: 21769

5-bromo-2-(2-phenylethoxy)benzoic acid

$$$$ Data

M. F.

C15H13BrO3

Suppliers	Catalog Number
Matrix Scientific	024116

Database	Data ID
PubChem	16641240

M. W.

321.16592

CAS

Similarity

N/A

ID: 21770

2-(4-tert-butylphenoxy)propanoic acid

$$$$ Data

M. F.

C13H18O3

Suppliers	Catalog Number
Matrix Scientific	024117
Enamine	EN300-11785

Database	Data ID
PubChem	246868

M. W.

222.28022

CAS

6941-12-4

Similarity

N/A

ID: 21771

5-oxo-5-{3-oxo-2-[2-oxo-2-(2-phenoxyethoxy)ethyl]piperazin-1-yl}pentanoic acid

$$$$ Data

M. F.

C19H24N2O7

Suppliers	Catalog Number
Matrix Scientific	024118

Database	Data ID
PubChem	4949669

M. W.

392.40306

CAS

Similarity

N/A

ID: 21772

5-bromo-2-(2-methylpropoxy)benzoic acid

$$$$ Data

M. F.

C11H13BrO3

Suppliers	Catalog Number
Matrix Scientific	024119

Database	Data ID
PubChem	2243384

M. W.

273.12312

CAS

Similarity

N/A

ID: 21773

5-bromo-2-(propan-2-yloxy)benzoic acid hydrochloride

$$$$ Data

M. F.

C10H12BrClO3

Suppliers	Catalog Number
Matrix Scientific	024120

Database	Data ID
PubChem	46735773

M. W.

295.55748

CAS

Similarity

N/A

ID: 21774

2-(4-bromo-2-tert-butylphenoxy)acetic acid

$$$$ Data

M. F.

C12H15BrO3

Suppliers	Catalog Number
Matrix Scientific	024121

Database	Data ID
PubChem	719761

M. W.

287.1497

CAS

Similarity

N/A

ID: 21775

3-bromo-4-(prop-2-en-1-yloxy)benzoic acid

$$$$ Data

M. F.

C10H9BrO3

Suppliers	Catalog Number
Matrix Scientific	024122

Database	Data ID
PubChem	8707167

M. W.

257.08066

CAS

Similarity

N/A

ID: 21776

3-bromo-4-(2-phenylethoxy)benzoic acid

$$$$ Data

M. F.

C15H13BrO3

Suppliers	Catalog Number
Matrix Scientific	024123

Database	Data ID
PubChem	16641241

M. W.

321.16592

CAS

Similarity

N/A

ID: 21777

3-bromo-4-ethoxybenzoic acid

$$$$ Data

M. F.

C9H9BrO3

Suppliers	Catalog Number
ChemBridge	5760111
Matrix Scientific	024124
Apollo Scientific	OR1890

Database	Data ID
PubChem	3116194

M. W.

245.06996

CAS

24507-29-7

Similarity

N/A

ID: 21778

3-[(4-fluorophenyl)carbamoyl]propanoic acid

$$$$ Data

M. F.

C10H10FNO3

Suppliers	Catalog Number
Matrix Scientific	024125

Database	Data ID
PubChem	306911

M. W.

211.1897032

CAS

Similarity

N/A

ID: 21779

2-(pyrrolidine-1-carbonyl)benzoic acid

$$$$ Data

M. F.

C12H13NO3

Suppliers	Catalog Number
Matrix Scientific	024126
Enamine	EN300-12523

Database	Data ID
PubChem	300501

M. W.

219.23652

CAS

20320-43-8

Similarity

N/A

ID: 21780

3-[(3-methoxyphenyl)carbamoyl]propanoic acid

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Matrix Scientific	024127

Database	Data ID
PubChem	296135

M. W.

223.22522

CAS

Similarity

N/A

ID: 21781

3-[(4-ethoxyphenyl)carbamoyl]propanoic acid

$$$$ Data

M. F.

C12H15NO4

Suppliers	Catalog Number
Matrix Scientific	024128

Database	Data ID
PubChem	307455

M. W.

237.2518

CAS

Similarity

N/A

ID: 21782

2-(1H-pyrrol-1-yl)propanoic acid

$$$$ Data

M. F.

C7H9NO2

Suppliers	Catalog Number
ChemBridge	4028103
Matrix Scientific	024129
Enamine	EN300-114853

Database	Data ID
PubChem	4442771

M. W.

139.15186

CAS

63751-72-4

Similarity

N/A

ID: 21783

2-(benzylcarbamoyl)benzoic acid

$$$$ Data

M. F.

C15H13NO3

Suppliers	Catalog Number
Matrix Scientific	024130

Database	Data ID
PubChem	2054808

M. W.

255.26862

CAS

Similarity

N/A

ID: 21784

3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}propanoic acid

$$$$ Data

M. F.

C12H19NO3

Suppliers	Catalog Number
Matrix Scientific	024131

Database	Data ID
PubChem	2920914

M. W.

225.28416

CAS

Similarity

N/A

ID: 21785

3-(benzylcarbamoyl)propanoic acid

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
Matrix Scientific	024132

Database	Data ID
PubChem	693076

M. W.

207.22582

CAS

Similarity

N/A

ID: 21786

2-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}benzoic acid

$$$$ Data

M. F.

C16H19NO3

Suppliers	Catalog Number
Matrix Scientific	024133

Database	Data ID
PubChem	717600

M. W.

273.32696

CAS

Similarity

N/A

ID: 21787

2-[(4-fluorophenyl)carbamoyl]benzoic acid

$$$$ Data

M. F.

C14H10FNO3

Suppliers	Catalog Number
Matrix Scientific	024134

Database	Data ID
PubChem	97259

M. W.

259.2325032

CAS

Similarity

N/A

ID: 21788

3-[(naphthalen-1-yl)carbamoyl]propanoic acid

$$$$ Data

M. F.

C14H13NO3

Suppliers	Catalog Number
Matrix Scientific	024135

Database	Data ID
PubChem	684306

M. W.

243.25792

CAS

Similarity

N/A

ID: 21789

(2S,6S)-2,6-bis(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine hydrochloride

$$$$ Data

M. F.

C11H18ClN

Suppliers	Catalog Number
Matrix Scientific	024136

Database	Data ID
PubChem	16464266

M. W.

199.72032

CAS

Similarity

N/A

ID: 21790

benzyl[2-(cyclohex-1-en-1-yl)ethyl]amine hydrochloride

$$$$ Data

M. F.

C15H22ClN

Suppliers	Catalog Number
Matrix Scientific	024138

Database	Data ID
PubChem	11948838

M. W.

251.79488

CAS

Similarity

N/A

ID: 21791

[2-(cyclohex-1-en-1-yl)ethyl](cyclopropylmethyl)amine hydrochloride

$$$$ Data

M. F.

C12H22ClN

Suppliers	Catalog Number
Matrix Scientific	024139

Database	Data ID
PubChem	11948802

M. W.

215.76278

CAS

Similarity

N/A

ID: 21792

4-(morpholin-4-yl)-4-oxobutanoic acid

$$$$ Data More

M. F.

C8H13NO4

Suppliers	Catalog Number
Matrix Scientific	024140
InterBioScreen	BB_SC-2407
Enamine	EN300-05277

Database	Data ID
PubChem	225378

M. W.

187.19312

CAS

67900-19-0

Similarity

N/A

ID: 21793

benzyl(cyclohexylmethyl)amine hydrochloride

$$$$ Data

M. F.

C14H22ClN

Suppliers	Catalog Number
Matrix Scientific	024141

Database	Data ID
PubChem	16641244

M. W.

239.78418

CAS

Similarity

N/A

ID: 21794

[(2-chlorophenyl)methyl](1-phenylethyl)amine hydrochloride

$$$$ Data

M. F.

C15H17Cl2N

Suppliers	Catalog Number
Matrix Scientific	024142

Database	Data ID
PubChem	16641245

M. W.

282.20818

CAS

Similarity

N/A

ID: 21795

[(4-chlorophenyl)methyl][2-(cyclohex-1-en-1-yl)ethyl]amine hydrochloride

$$$$ Data

M. F.

C15H21Cl2N

Suppliers	Catalog Number
Matrix Scientific	024143

Database	Data ID
PubChem	11948833

M. W.

286.23994

CAS

Similarity

N/A

ID: 21796

[(4-methoxyphenyl)methyl](oxolan-2-ylmethyl)amine hydrochloride

$$$$ Data

M. F.

C13H20ClNO2

Suppliers	Catalog Number
Matrix Scientific	024144

Database	Data ID
PubChem	16641246

M. W.

257.7564

CAS

Similarity

N/A

ID: 21797

[2-(cyclohex-1-en-1-yl)ethyl](cyclohexylmethyl)amine hydrochloride

$$$$ Data

M. F.

C15H28ClN

Suppliers	Catalog Number
Matrix Scientific	024145

Database	Data ID
PubChem	11948824

M. W.

257.84252

CAS

Similarity

N/A

ID: 21798

[2-(cyclohex-1-en-1-yl)ethyl][(3-methylphenyl)methyl]amine hydrochloride

$$$$ Data

M. F.

C16H24ClN

Suppliers	Catalog Number
Matrix Scientific	024146

Database	Data ID
PubChem	16641247

M. W.

265.82146

CAS

Similarity

N/A

ID: 21799

benzyl[(3-methylphenyl)methyl]amine hydrochloride

$$$$ Data

M. F.

C15H18ClN

Suppliers	Catalog Number
Matrix Scientific	024147

Database	Data ID
PubChem	15945460

M. W.

247.76312

CAS

Similarity

N/A

ID: 21800

[(3-methylphenyl)methyl](oxolan-2-ylmethyl)amine hydrochloride

$$$$ Data

M. F.

C13H20ClNO

Suppliers	Catalog Number
Matrix Scientific	024148

Database	Data ID
PubChem	2904138

M. W.

241.757

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