phenyl[4-(2-phenylethyl)phenyl]methanone

• ChemBase编号: 309861
• 分子式: C21H18O
• 平均质量: 286.36702
• 单一同位素质量: 286.1357652
• SMILES: C(=O)(c1ccc(cc1)CCc1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)c1ccc(cc1)CCc1ccccc1
• InChI: InChI=1S/C21H18O/c22-21(19-9-5-2-6-10-19)20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1-10,13-16H,11-12H2
• InChIKey: OCIICNRVGIWCOF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: phenyl[4-(2-phenylethyl)phenyl]methanone
• IUPAC传统名: phenyl[4-(2-phenylethyl)phenyl]methanone
• 别名: phenyl[4-(2-phenylethyl)phenyl]methanone

登记号

• CAS号: 91036-10-1
• MDL号: MFCD01076585

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.9689617
• LogD (pH = 7.4): 5.9689617
• Log P: 5.9689617
• 摩尔折射率: 90.9717 cm^3
• 极化性: 35.20516 Å^3
• 极化表面积: 17.07 Å^2