(2Z)-6-[(4-ethenylphenyl)methoxy]-2-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase编号: 201743
• 分子式: C27H24O6
• 平均质量: 444.47586
• 单一同位素质量: 444.15728849
• SMILES: C\1(=C\c2c(cc(c(c2)OC)OC)OC)/C(=O)c2c(O1)cc(OCc1ccc(C=C)cc1)cc2
• Canonical SMILES: COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccc(cc1)C=C)OC
• InChI: InChI=1S/C27H24O6/c1-5-17-6-8-18(9-7-17)16-32-20-10-11-21-23(14-20)33-26(27(21)28)13-19-12-24(30-3)25(31-4)15-22(19)29-2/h5-15H,1,16H2,2-4H3/b26-13-
• InChIKey: DYSUGTCDMNCRCS-ZMFRSBBQSA-N

名称和登记号

名称

• IUPAC标准名: (2Z)-6-[(4-ethenylphenyl)methoxy]-2-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC传统名: (2Z)-6-[(4-ethenylphenyl)methoxy]-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

登记号

• PubChem SID: 164257653
• PubChem CID: 1762035

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 5.0327644
• LogD (pH = 7.4): 5.0327644
• Log P: 5.0327644
• 摩尔折射率: 127.198 cm^3
• 极化性: 48.443867 Å^3
• 极化表面积: 63.22 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