(2,4-dimethylphenyl)(phenyl)methanone

• ChemBase ID: 86991
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: O=C(c1c(cc(cc1)C)C)c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)C)C(=O)c1ccccc1
• InChI: InChI=1S/C15H14O/c1-11-8-9-14(12(2)10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3
• InChIKey: UYSQHMXRROFKRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dimethylphenyl)(phenyl)methanone
• IUPAC Traditional name: (2,4-dimethylphenyl)(phenyl)methanone
• Synonyms: (2,4-dimethylphenyl)(phenyl)methanone; 2,4-DIMETHYLBENZOPHENONE

Database IDs

• CAS Number: 1140-14-3
• MDL Number: MFCD00008537
• PubChem SID: 162074107
• PubChem CID: 70831

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4594417
• LogD (pH = 7.4): 4.4594417
• Log P: 4.4594417
• Molar Refractivity: 66.7159 cm^3
• Polarizability: 25.56308 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220865

MP Biomedicals Rare Chemical collection