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

• ChemBase编号: 202105
• 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/c3ccc(cc3)OC)/O2)cc1
• Canonical SMILES: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1c(oc2c1cc(OC)cc2)c1ccccc1
• InChI: InChI=1S/C32H22O7/c1-35-21-10-8-19(9-11-21)16-28-30(33)24-14-12-23(18-27(24)38-28)37-32(34)29-25-17-22(36-2)13-15-26(25)39-31(29)20-6-4-3-5-7-20/h3-18H,1-2H3/b28-16-
• InChIKey: YDUZBEZHZVGKPK-NTFVMDSBSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164258015
• PubChem CID: 1763156

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: 57.81417 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