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4038-14-6 molecular structure
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(3,4-dimethoxyphenyl)(phenyl)methanone

ChemBase ID: 88242
Molecular Formular: C15H14O3
Molecular Mass: 242.26986
Monoisotopic Mass: 242.09429431
SMILES and InChIs

SMILES:
O=C(c1ccccc1)c1ccc(c(c1)OC)OC
Canonical SMILES:
COc1cc(ccc1OC)C(=O)c1ccccc1
InChI:
InChI=1S/C15H14O3/c1-17-13-9-8-12(10-14(13)18-2)15(16)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey:
WCNOATOQNSHEFK-UHFFFAOYSA-N

Cite this record

CBID:88242 http://www.chembase.cn/molecule-88242.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3,4-dimethoxyphenyl)(phenyl)methanone
IUPAC Traditional name
(3,4-dimethoxyphenyl)(phenyl)methanone
Synonyms
(3,4-Dimethoxyphenyl)(phenyl)methanone
(3,4-Dimethoxy-phenyl)-phenyl-methanone
(3,4-Dimethoxyphenyl)(phenyl)methanone
4-Benzoylcatechol dimethyl ether
3,4-Dimethoxybenzophenone
CAS Number
4038-14-6
MDL Number
MFCD00075875
PubChem SID
162075230
PubChem CID
286742

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 286742 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1172564  LogD (pH = 7.4) 3.1172564 
Log P 3.1172564  Molar Refractivity 69.5599 cm3
Polarizability 27.012875 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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