3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

• ChemBase编号: 107117
• 分子式: C18H15NO3
• 平均质量: 293.3166
• 单一同位素质量: 293.10519335
• SMILES: COc1ccccc1NC(=O)c1cc2c(cccc2)cc1O
• Canonical SMILES: COc1ccccc1NC(=O)c1cc2ccccc2cc1O
• InChI: InChI=1S/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)
• InChIKey: AQYMRQUYPFCXDM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
• IUPAC传统名: 3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
• 别名: 2-HYDROXY-3-NAPHTHOYL-o-ANISIDIDE; 3-hydroxy-n-(2-methoxyphenyl)-2-Naphthalenecarboxamide

登记号

• CAS号: 135-62-6
• PubChem SID: 162093230
• PubChem CID: 67274

理论计算性质

• Acid pKa: 7.69645
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.5906382
• LogD (pH = 7.4): 3.4174466
• Log P: 3.5933707
• 摩尔折射率: 86.4858 cm^3
• 极化性: 33.58379 Å^3
• 极化表面积: 58.56 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%

详细说明

MP Biomedicals - 05202624

MP Biomedicals Rare Chemical collection