(diphenylphosphoroso)(naphthalen-1-yl)methanol

• ChemBase编号: 83023
• 分子式: C23H19O2P
• 平均质量: 358.369521
• 单一同位素质量: 358.11226648
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C(c1c2c(ccc1)cccc2)O
• Canonical SMILES: OC(P(=O)(c1ccccc1)c1ccccc1)c1cccc2c1cccc2
• InChI: InChI=1S/C23H19O2P/c24-23(22-17-9-11-18-10-7-8-16-21(18)22)26(25,19-12-3-1-4-13-19)20-14-5-2-6-15-20/h1-17,23-24H
• InChIKey: CENLJJOMEYXGTA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (diphenylphosphoroso)(naphthalen-1-yl)methanol
• IUPAC传统名: (diphenylphosphoroso)(naphthalen-1-yl)methanol
• 别名: (diphenylphosphoryl)(1-naphthyl)methanol

登记号

• MDL号: MFCD00123309
• PubChem SID: 162070142
• PubChem CID: 2779457

理论计算性质

• Acid pKa: 12.787697
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.465
• LogD (pH = 7.4): 5.4649982
• Log P: 5.465
• 摩尔折射率: 105.4743 cm^3
• 极化性: 42.985817 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false