(4-phenoxyphenyl)(phenyl)methanone

• ChemBase ID: 295859
• Molecular Formular: C19H14O2
• Molecular Mass: 274.31326
• Monoisotopic Mass: 274.09937969
• SMILES: c1ccc(cc1)C(=O)c1ccc(cc1)Oc1ccccc1
• Canonical SMILES: O=C(c1ccccc1)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C19H14O2/c20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-17-9-5-2-6-10-17/h1-14H
• InChIKey: ITVUPWDTDWMACZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-phenoxyphenyl)(phenyl)methanone
• IUPAC Traditional name: (4-phenoxyphenyl)(phenyl)methanone
• Synonyms: 4-Benzoyldiphenyl ether; 4-Phenoxybenzophenone; 4-苯氧基苯甲酮

Database IDs

• CAS Number: 6317-73-3
• MDL Number: MFCD00017553
• PubChem SID: 180681390
• PubChem CID: 238623

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.932886
• LogD (pH = 7.4): 4.932886
• Log P: 4.932886
• Molar Refractivity: 82.8743 cm^3
• Polarizability: 32.35464 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64-68°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%