phenyl(3-phenylphenyl)methanone

• ChemBase编号: 306498
• 分子式: C19H14O
• 平均质量: 258.31386
• 单一同位素质量: 258.10446507
• SMILES: C(=O)(c1cc(c2ccccc2)ccc1)c1ccccc1
• Canonical SMILES: O=C(c1cccc(c1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H14O/c20-19(16-10-5-2-6-11-16)18-13-7-12-17(14-18)15-8-3-1-4-9-15/h1-14H
• InChIKey: KOVXIYLMAMPQLP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: phenyl(3-phenylphenyl)methanone
• IUPAC传统名: phenyl(3-phenylphenyl)methanone
• 别名: biphenyl-3-yl(phenyl)methanone

登记号

• CAS号: 3378-09-4
• MDL号: MFCD09055168

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.0798244
• LogD (pH = 7.4): 5.0798244
• Log P: 5.0798244
• 摩尔折射率: 81.7697 cm^3
• 极化性: 33.121357 Å^3
• 极化表面积: 17.07 Å^2