bis(4-phenoxyphenyl)methanone

• ChemBase ID: 88491
• Molecular Formular: C25H18O3
• Molecular Mass: 366.40862
• Monoisotopic Mass: 366.12559444
• SMILES: O=C(c1ccc(cc1)Oc1ccccc1)c1ccc(cc1)Oc1ccccc1
• Canonical SMILES: O=C(c1ccc(cc1)Oc1ccccc1)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C25H18O3/c26-25(19-11-15-23(16-12-19)27-21-7-3-1-4-8-21)20-13-17-24(18-14-20)28-22-9-5-2-6-10-22/h1-18H
• InChIKey: BSILAEQTGTZMIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-phenoxyphenyl)methanone
• IUPAC Traditional name: bis(4-phenoxyphenyl)methanone
• Synonyms: 4,4'-Diphenoxybenzophenone; Bis(4-phenoxyphenyl)methanone; 4,4'-Diphenoxybenzophenone 99%; 4,4'-二苯氧基二苯甲酮

Database IDs

• CAS Number: 14984-21-5
• EC Number: 403-390-4
• MDL Number: MFCD00077969
• Beilstein Number: 2165449
• PubChem SID: 162075437
• PubChem CID: 84743

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.433173
• LogD (pH = 7.4): 6.433173
• Log P: 6.433173
• Molar Refractivity: 109.1151 cm^3
• Polarizability: 42.682056 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 147-151°C; 147-151°C

Safety Information

• Storage Warning: Harmful/Irritant
• TSCA Listed: 是

Product Information

• Purity: 98%