phenyl[4-(2-phenylethyl)phenyl]methanone

• ChemBase ID: 309861
• Molecular Formular: C21H18O
• Molecular Mass: 286.36702
• Monoisotopic Mass: 286.1357652
• SMILES: C(=O)(c1ccc(cc1)CCc1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)c1ccc(cc1)CCc1ccccc1
• InChI: InChI=1S/C21H18O/c22-21(19-9-5-2-6-10-19)20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1-10,13-16H,11-12H2
• InChIKey: OCIICNRVGIWCOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl[4-(2-phenylethyl)phenyl]methanone
• IUPAC Traditional name: phenyl[4-(2-phenylethyl)phenyl]methanone
• Synonyms: phenyl[4-(2-phenylethyl)phenyl]methanone

Database IDs

• CAS Number: 91036-10-1
• MDL Number: MFCD01076585

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.9689617
• LogD (pH = 7.4): 5.9689617
• Log P: 5.9689617
• Molar Refractivity: 90.9717 cm^3
• Polarizability: 35.20516 Å^3
• Polar Surface Area: 17.07 Å^2