(2Z)-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-(benzyloxy)-2-methyl-1-benzofuran-3-carboxylate

• ChemBase编号: 198806
• 分子式: C30H20O7
• 平均质量: 492.4756
• 单一同位素质量: 492.12090298
• SMILES: c1(c(oc2c1cc(OCc1ccccc1)cc2)C)C(=O)Oc1cc2c(C(=O)/C(=C/c3occc3)/O2)cc1
• Canonical SMILES: O=C(c1c(C)oc2c1cc(OCc1ccccc1)cc2)Oc1ccc2c(c1)O/C(=C\c1ccco1)/C2=O
• InChI: InChI=1S/C30H20O7/c1-18-28(24-14-21(10-12-25(24)35-18)34-17-19-6-3-2-4-7-19)30(32)36-22-9-11-23-26(16-22)37-27(29(23)31)15-20-8-5-13-33-20/h2-16H,17H2,1H3/b27-15-
• InChIKey: JMOPOAMMDNBXFB-DICXZTSXSA-N

名称和登记号

名称

• IUPAC标准名: (2Z)-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-(benzyloxy)-2-methyl-1-benzofuran-3-carboxylate
• IUPAC传统名: (2Z)-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl 5-(benzyloxy)-2-methyl-1-benzofuran-3-carboxylate

登记号

• PubChem SID: 164254716
• PubChem CID: 1802787

理论计算性质

• 摩尔折射率: 136.3067 cm^3
• 极化性: 52.54495 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
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.849443
• LogD (pH = 7.4): 5.849443
• Log P: 5.849443

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds