ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

• ChemBase编号: 168902
• 分子式: C19H19ClO4
• 平均质量: 346.80476
• 单一同位素质量: 346.09718677
• SMILES: c1c(ccc(c1)C(=O)c1ccc(cc1)OC(C)(C)C(=O)OCC)Cl
• Canonical SMILES: CCOC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C
• InChI: InChI=1S/C19H19ClO4/c1-4-23-18(22)19(2,3)24-16-11-7-14(8-12-16)17(21)13-5-9-15(20)10-6-13/h5-12H,4H2,1-3H3
• InChIKey: WAROHEJQMZXNDT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
• IUPAC传统名: ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
• 别名: 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic Acid Ethyl Ester; Fenofibric Acid Ethyl Ester

登记号

• CAS号: 42019-08-9
• PubChem SID: 162263034
• PubChem CID: 3038934

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.861188
• LogD (pH = 7.4): 4.861188
• Log P: 4.861188
• 摩尔折射率: 92.711 cm^3
• 极化性: 36.340233 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - F248670

An ester of Fenofibric Acid (F248650) as antilipidemic drug.

参考文献

• Vargas, F., et al.: J. Pharm. Sci., 82, 590 (1993)
• Dawson, B., et al.: J. Pharm. Biomed. Anal., 13, 39 (1993)