(4-benzoylphenyl)(phenyl)methanone

• ChemBase ID: 145208
• Molecular Formular: C20H14O2
• Molecular Mass: 286.32396
• Monoisotopic Mass: 286.09937969
• SMILES: c1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)c1ccc(cc1)C(=O)c1ccccc1
• InChI: InChI=1S/C20H14O2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16/h1-14H
• InChIKey: NPENBPVOAXERED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-benzoylphenyl)(phenyl)methanone
• IUPAC Traditional name: (4-benzoylphenyl)(phenyl)methanone
• Synonyms: 1,4-Dibenzoylbenzene; 1,4-Phenylenebis(phenylmethanone); 4-Benzoylbenzophenone; 1,4-联苯酰基苯; 1,4-二苯甲酰基苯

Database IDs

• CAS Number: 3016-97-5
• EC Number: 221-155-2
• MDL Number: MFCD00014087
• Beilstein Number: 1880440
• PubChem SID: 162239418; 24868212
• PubChem CID: 76395

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.891952
• LogD (pH = 7.4): 4.891952
• Log P: 4.891952
• Molar Refractivity: 87.209 cm^3
• Polarizability: 33.67717 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161-165°C; 163-166 °C(lit.)

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 99%
• Linear Formula: C6H4(COC6H5)2

DETAILS

Sigma Aldrich - 445932

Packaging
5 g in glass bottle