1-(6-methoxynaphthalen-2-yl)ethan-1-ol

• ChemBase编号: 173065
• 分子式: C13H14O2
• 平均质量: 202.24906
• 单一同位素质量: 202.09937969
• SMILES: c1cc(cc2c1cc(cc2)C(C)O)OC
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(O)C
• InChI: InChI=1S/C13H14O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9,14H,1-2H3
• InChIKey: OUVJWFRUESFCCY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(6-methoxynaphthalen-2-yl)ethan-1-ol
• IUPAC传统名: 1-(6-methoxynaphthalen-2-yl)ethanol
• 别名: 1-(6-甲氧基-2-萘甲基)乙醇; 6-Methoxy-alpha-methyl-2-naphthalenemethanol; 1-(6-Methoxy-2-naphthyl)ethanol; 6-Methoxy-α-methyl-2-Naphthalenemethanol; (+/-)-1-(6-Methoxynaphthyl)ethanol; 1-(6'-Methoxy-2-naphthyl)ethanol; 2-(1-Hydroxyethyl)-6-methoxynaphthalene; α-(6-Methoxy-2-naphthyl)ethanol; Naproxen Impurity K; (1RS)-1-(6-Methoxy-2-naphthyl)ethanol (Naproxen Impurity K); 1-(6-methoxynaphthalen-2-yl)ethan-1-ol

登记号

• CAS号: 77301-42-9
• MDL号: MFCD01632581
• PubChem SID: 164228975
• PubChem CID: 575523

理论计算性质

• Acid pKa: 14.763382
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.4542766
• LogD (pH = 7.4): 2.4542766
• Log P: 2.4542766
• 摩尔折射率: 60.2061 cm^3
• 极化性: 24.697914 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO
• 外观: Pale Yellow Solid
• 熔点: 110 - 112°C; 110-112°C; 111-112°C
• 疏水性(logP): 2.506

安全信息

• 保存条件: Refrigerator
• TSCA收录: 否

产品相关信息

• 纯度: 95%; 98%

详细说明

Toronto Research Chemicals - M264740

Naproxen impurity K.

参考文献

• Boynton, C., et al.: J. Clin. Pharmacol., 28, 512 (1988)
• Li, J., et al.: J. Med. Chem., 39, 1846 (1988)
• Monser, L., et al.: J. Pharm. Biomed. Anal., 27, 851 (1988)