Home > Compound List > Compound details
33077-87-1 molecular structure
click picture or here to close

(2,4-dimethoxyphenyl)(2-methoxyphenyl)methanone

ChemBase ID: 134631
Molecular Formular: C16H16O4
Molecular Mass: 272.29584
Monoisotopic Mass: 272.10485899
SMILES and InChIs

SMILES:
COc1ccc(c(c1)OC)C(=O)c1ccccc1OC
Canonical SMILES:
COc1ccc(c(c1)OC)C(=O)c1ccccc1OC
InChI:
InChI=1S/C16H16O4/c1-18-11-8-9-13(15(10-11)20-3)16(17)12-6-4-5-7-14(12)19-2/h4-10H,1-3H3
InChIKey:
FUGHBBQOPVKADC-UHFFFAOYSA-N

Cite this record

CBID:134631 http://www.chembase.cn/molecule-134631.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4-dimethoxyphenyl)(2-methoxyphenyl)methanone
IUPAC Traditional name
(2,4-dimethoxyphenyl)(2-methoxyphenyl)methanone
Synonyms
2,2′,4-Trimethoxybenzophenone
CAS Number
33077-87-1
MDL Number
MFCD01098829
PubChem SID
24881489
162228907
PubChem CID
3507164

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
594210 external link Add to cart Please log in.
Data Source Data ID
PubChem 3507164 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.959585  LogD (pH = 7.4) 2.959585 
Log P 2.959585  Molar Refractivity 76.0231 cm3
Polarizability 29.529716 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
55.5-59.5 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Linear Formula
CH3OC6H3(OCH3)COC6H4OCH3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle