(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-(benzyloxy)-2-methyl-1-benzofuran-3-carboxylate

• ChemBase编号: 198881
• 分子式: C34H26O8
• 平均质量: 562.56544
• 单一同位素质量: 562.16276779
• SMILES: c1(c(oc2c1cc(OCc1ccccc1)cc2)C)C(=O)Oc1cc2c(C(=O)/C(=C/c3c(ccc(c3)OC)OC)/O2)cc1
• Canonical SMILES: COc1ccc(c(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1c(C)oc2c1cc(OCc1ccccc1)cc2)OC
• InChI: InChI=1S/C34H26O8/c1-20-32(27-17-24(11-14-29(27)40-20)39-19-21-7-5-4-6-8-21)34(36)41-25-9-12-26-30(18-25)42-31(33(26)35)16-22-15-23(37-2)10-13-28(22)38-3/h4-18H,19H2,1-3H3/b31-16-
• InChIKey: SLZIQMBQEGCMGP-ACXHZZMFSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164254791
• PubChem CID: 1803054

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 6.4738536
• LogD (pH = 7.4): 6.4738536
• Log P: 6.4738536
• 摩尔折射率: 156.8422 cm^3
• 极化性: 60.712387 Å^3
• 极化表面积: 93.43 Å^2
• 可自由旋转的化学键: 9
• 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