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

• ChemBase编号: 195579
• 分子式: C28H26O9
• 平均质量: 506.50064
• 单一同位素质量: 506.15768241
• SMILES: c1(c(oc2c1cc(OC(=O)c1cc(c(c(c1)OC)OC)OC)cc2)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)OC
• InChI: InChI=1S/C28H26O9/c1-6-35-28(30)24-20-15-19(11-12-21(20)37-25(24)16-7-9-18(31-2)10-8-16)36-27(29)17-13-22(32-3)26(34-5)23(14-17)33-4/h7-15H,6H2,1-5H3
• InChIKey: AMVZGPPEBSPIDV-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164251489
• PubChem CID: 1522795

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 5.090631
• LogD (pH = 7.4): 5.090631
• Log P: 5.090631
• 摩尔折射率: 134.3424 cm^3
• 极化性: 54.156464 Å^3
• 极化表面积: 102.66 Å^2
• 可自由旋转的化学键: 11
• 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