(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate

• ChemBase编号: 199165
• 分子式: C33H24O8
• 平均质量: 548.53886
• 单一同位素质量: 548.14711773
• SMILES: c1(c(oc2c1cc(cc2)OC)c1ccccc1)C(=O)Oc1cc2c(C(=O)/C(=C/c3cc(c(cc3)OC)OC)/O2)cc1
• Canonical SMILES: COc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1ccc(c(c1)OC)OC)/C3=O)c(o2)c1ccccc1
• InChI: InChI=1S/C33H24O8/c1-36-21-11-14-25-24(17-21)30(32(41-25)20-7-5-4-6-8-20)33(35)39-22-10-12-23-27(18-22)40-29(31(23)34)16-19-9-13-26(37-2)28(15-19)38-3/h4-18H,1-3H3/b29-16-
• InChIKey: DVSXCZDOVWGGJQ-MWLSYYOVSA-N

名称和登记号

名称

• IUPAC标准名: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
• IUPAC传统名: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate

登记号

• PubChem SID: 164255075
• PubChem CID: 1754502

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 6.117046
• LogD (pH = 7.4): 6.117046
• Log P: 6.117046
• 摩尔折射率: 152.0936 cm^3
• 极化性: 60.321888 Å^3
• 极化表面积: 93.43 Å^2
• 可自由旋转的化学键: 8
• 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