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1023-17-2 molecular structure
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1-(4-methoxyphenyl)-2-phenylethan-1-one

ChemBase ID: 89290
Molecular Formular: C15H14O2
Molecular Mass: 226.27046
Monoisotopic Mass: 226.09937969
SMILES and InChIs

SMILES:
O=C(c1ccc(cc1)OC)Cc1ccccc1
Canonical SMILES:
COc1ccc(cc1)C(=O)Cc1ccccc1
InChI:
InChI=1S/C15H14O2/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey:
PLALKSRAHVYFOH-UHFFFAOYSA-N

Cite this record

CBID:89290 http://www.chembase.cn/molecule-89290.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methoxyphenyl)-2-phenylethan-1-one
IUPAC Traditional name
1-(4-methoxyphenyl)-2-phenylethanone
Synonyms
Benzyl 4-methoxyphenyl ketone
4'-Methoxy-2-phenylacetophenone
p-ANISYL BENZYL KETONE
1-(4-Methoxyphenyl)-2-phenyl-ethanone
2-Phenyl-p-methoxyacetophenone
4-Methoxy-α-phenylacetophenone
4-Methoxydeoxybenzoin
Benzyl p-Methoxyphenyl Ketone
NSC 26658
p-Anisyl Benzyl Ketone
1-(4-Methoxyphenyl)acetophenone
CAS Number
1023-17-2
MDL Number
MFCD00017177
PubChem SID
162076171
PubChem CID
231093

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 231093 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.475431  H Acceptors
H Donor LogD (pH = 5.5) 3.207562 
LogD (pH = 7.4) 3.207562  Log P 3.207562 
Molar Refractivity 67.6459 cm3 Polarizability 26.188902 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
Apperance
White Crystalline Solid expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals TRC TRC
MP Biomedicals - 05220242 external link
MP Biomedicals Rare Chemical collection
Toronto Research Chemicals - M265800 external link
An intermediate for the synthesis of many biologically active molecules including receptor ligands and enzyme inhibitors

REFERENCES

REFERENCES

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  • • Chesworth, R., et al.: Bioorg. Med. Chem. Lett., 15, 5562 (2005)
  • • Gupta, A., et al.: Med. Chem., 3, 241 (2005)
  • • Ramajayam, R., et al.: Eur. J. Med. Chem., 43, 2004 (2005)
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PATENTS

PATENTS

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INTERNET

INTERNET

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