phenyl(3-phenylphenyl)methanone

• ChemBase ID: 306498
• Molecular Formular: C19H14O
• Molecular Mass: 258.31386
• Monoisotopic Mass: 258.10446507
• SMILES: C(=O)(c1cc(c2ccccc2)ccc1)c1ccccc1
• Canonical SMILES: O=C(c1cccc(c1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H14O/c20-19(16-10-5-2-6-11-16)18-13-7-12-17(14-18)15-8-3-1-4-9-15/h1-14H
• InChIKey: KOVXIYLMAMPQLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(3-phenylphenyl)methanone
• IUPAC Traditional name: phenyl(3-phenylphenyl)methanone
• Synonyms: biphenyl-3-yl(phenyl)methanone

Database IDs

• CAS Number: 3378-09-4
• MDL Number: MFCD09055168

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0798244
• LogD (pH = 7.4): 5.0798244
• Log P: 5.0798244
• Molar Refractivity: 81.7697 cm^3
• Polarizability: 33.121357 Å^3
• Polar Surface Area: 17.07 Å^2