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

• ChemBase编号: 200942
• 分子式: C25H20Cl2O6
• 平均质量: 487.3287
• 单一同位素质量: 486.06369372
• SMILES: C\1(=C\c2cc(c(c(c2)OC)OC)OC)/C(=O)c2c(O1)cc(OCc1c(cc(cc1)Cl)Cl)cc2
• Canonical SMILES: COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OCc2ccc(cc2Cl)Cl)cc(c1OC)OC
• InChI: InChI=1S/C25H20Cl2O6/c1-29-22-9-14(10-23(30-2)25(22)31-3)8-21-24(28)18-7-6-17(12-20(18)33-21)32-13-15-4-5-16(26)11-19(15)27/h4-12H,13H2,1-3H3/b21-8-
• InChIKey: FCPCPAZFWNVBLV-WNFQYIGGSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164256852
• PubChem CID: 1806018

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 5.504152
• LogD (pH = 7.4): 5.504152
• Log P: 5.504152
• 摩尔折射率: 127.1213 cm^3
• 极化性: 48.720383 Å^3
• 极化表面积: 63.22 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