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

• ChemBase编号: 199141
• 分子式: C31H22O7
• 平均质量: 506.50218
• 单一同位素质量: 506.13655304
• SMILES: c1(c(oc2c1cc(cc2)OCC)c1ccccc1)C(=O)Oc1cc2c(C(=O)/C(=C/c3oc(cc3)C)/O2)cc1
• Canonical SMILES: CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1ccc(o1)C)/C3=O)c(o2)c1ccccc1
• InChI: InChI=1S/C31H22O7/c1-3-34-20-12-14-25-24(15-20)28(30(38-25)19-7-5-4-6-8-19)31(33)36-22-11-13-23-26(16-22)37-27(29(23)32)17-21-10-9-18(2)35-21/h4-17H,3H2,1-2H3/b27-17-
• InChIKey: ILUXDSOKWJBPSU-PKAZHMFMSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164255051
• PubChem CID: 1754420

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.049004
• LogD (pH = 7.4): 6.049004
• Log P: 6.049004
• 摩尔折射率: 141.4564 cm^3
• 极化性: 55.760807 Å^3
• 极化表面积: 88.11 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