(2Z)-7-methyl-6-[(2-methylprop-2-en-1-yl)oxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase编号: 210162
• 分子式: C23H24O6
• 平均质量: 396.43306
• 单一同位素质量: 396.15728849
• SMILES: c12O/C(=C\c3cc(c(c(c3)OC)OC)OC)/C(=O)c1ccc(c2C)OCC(=C)C
• Canonical SMILES: COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C)OCC(=C)C)cc(c1OC)OC
• InChI: InChI=1S/C23H24O6/c1-13(2)12-28-17-8-7-16-21(24)18(29-22(16)14(17)3)9-15-10-19(25-4)23(27-6)20(11-15)26-5/h7-11H,1,12H2,2-6H3/b18-9-
• InChIKey: LUZAOVJLHFUMDA-NVMNQCDNSA-N

名称和登记号

名称

• IUPAC标准名: (2Z)-7-methyl-6-[(2-methylprop-2-en-1-yl)oxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC传统名: (2Z)-7-methyl-6-[(2-methylprop-2-en-1-yl)oxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

登记号

• PubChem SID: 164266072
• PubChem CID: 1790086

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.059622
• LogD (pH = 7.4): 4.059622
• Log P: 4.059622
• 摩尔折射率: 111.385 cm^3
• 极化性: 42.396683 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: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds