diphenylethen-1-one

• ChemBase ID: 127132
• Molecular Formular: C14H10O
• Molecular Mass: 194.2286
• Monoisotopic Mass: 194.07316494
• SMILES: O=C=C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H10O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
• InChIKey: ZWJPCOALBPMBIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylethen-1-one
• IUPAC Traditional name: diphenylketene
• Synonyms: Diphenylethenone; Diphenylketene

Database IDs

• CAS Number: 525-06-4
• PubChem SID: 162221454
• PubChem CID: 123069
• Chemspider ID: 109691
• Wikipedia Title: Diphenylketene

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5671
• LogD (pH = 7.4): 3.5671
• Log P: 3.5671
• Molar Refractivity: 68.452 cm^3
• Polarizability: 23.230404 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Red/orange oil
• Melting Point: 8–9 °C
• Boiling Point: 118–120 °C at 1mmHg