ethyl 5-(3,4-dimethoxybenzoyloxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

• ChemBase编号: 196446
• 分子式: C27H24O8
• 平均质量: 476.47466
• 单一同位素质量: 476.14711773
• SMILES: c1(c(oc2c1cc(OC(=O)c1cc(c(cc1)OC)OC)cc2)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccc(c(c1)OC)OC)c1ccc(cc1)OC
• InChI: InChI=1S/C27H24O8/c1-5-33-27(29)24-20-15-19(34-26(28)17-8-12-22(31-3)23(14-17)32-4)11-13-21(20)35-25(24)16-6-9-18(30-2)10-7-16/h6-15H,5H2,1-4H3
• InChIKey: OVIRLRCQAUWDLB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 5-(3,4-dimethoxybenzoyloxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
• IUPAC传统名: ethyl 5-(3,4-dimethoxybenzoyloxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

登记号

• PubChem SID: 164252356
• PubChem CID: 1033130

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.2483025
• LogD (pH = 7.4): 5.2483025
• Log P: 5.2483025
• 摩尔折射率: 127.8792 cm^3
• 极化性: 51.633476 Å^3
• 极化表面积: 93.43 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds