(2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate

• ChemBase编号: 201638
• 分子式: C32H22O7
• 平均质量: 518.51288
• 单一同位素质量: 518.13655304
• SMILES: c1(c(oc2c1cc(cc2)OC)c1ccccc1)C(=O)Oc1cc2c(C(=O)/C(=C/c3c(OC)cccc3)/O2)cc1
• Canonical SMILES: COc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1ccccc1OC)/C3=O)c(o2)c1ccccc1
• InChI: InChI=1S/C32H22O7/c1-35-21-13-15-26-24(17-21)29(31(39-26)19-8-4-3-5-9-19)32(34)37-22-12-14-23-27(18-22)38-28(30(23)33)16-20-10-6-7-11-25(20)36-2/h3-18H,1-2H3/b28-16-
• InChIKey: MDFHGFZOSWDCEW-NTFVMDSBSA-N

名称和登记号

名称

• IUPAC标准名: (2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
• IUPAC传统名: (2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate

登记号

• PubChem SID: 164257548
• PubChem CID: 1761236

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 6.274717
• LogD (pH = 7.4): 6.274717
• Log P: 6.274717
• 摩尔折射率: 145.6304 cm^3
• 极化性: 57.816498 Å^3
• 极化表面积: 84.2 Å^2
• 可自由旋转的化学键: 7
• 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