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82520-37-4 molecular structure
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(3-methoxyphenyl)(4-methylphenyl)methanone

ChemBase ID: 173009
Molecular Formular: C15H14O2
Molecular Mass: 226.27046
Monoisotopic Mass: 226.09937969
SMILES and InChIs

SMILES:
c1(cccc(c1)C(=O)c1ccc(cc1)C)OC
Canonical SMILES:
COc1cccc(c1)C(=O)c1ccc(cc1)C
InChI:
InChI=1S/C15H14O2/c1-11-6-8-12(9-7-11)15(16)13-4-3-5-14(10-13)17-2/h3-10H,1-2H3
InChIKey:
KZQIJMIURWFUIS-UHFFFAOYSA-N

Cite this record

CBID:173009 http://www.chembase.cn/molecule-173009.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-methoxyphenyl)(4-methylphenyl)methanone
IUPAC Traditional name
(3-methoxyphenyl)(4-methylphenyl)methanone
Synonyms
(3-Methoxyphenyl)(4-methylphenyl)methanone
3-Methoxy-4'-methylbenzophenone
CAS Number
82520-37-4
PubChem SID
164228919
PubChem CID
54881

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M263400 external link Add to cart
PubChem 54881 external link
Data Source Data ID Price
TRC
M263400 external link Add to cart Please log in.
Data Source Data ID
PubChem 54881 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.788349  LogD (pH = 7.4) 3.788349 
Log P 3.788349  Molar Refractivity 68.1379 cm3
Polarizability 26.276762 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Viscus Yellow Oil expand Show data source
Boiling Point
145-150°C at 0.6 mm Hg expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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