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

• ChemBase编号: 202108
• 分子式: C26H24O5
• 平均质量: 416.46576
• 单一同位素质量: 416.16237387
• SMILES: C\1(=C\c2c(cc(cc2)OC)OC)/C(=O)c2c(O1)cc(OCc1c(ccc(c1)C)C)cc2
• Canonical SMILES: COc1cc(OC)ccc1/C=C/1\Oc2c(C1=O)ccc(c2)OCc1cc(C)ccc1C
• InChI: InChI=1S/C26H24O5/c1-16-5-6-17(2)19(11-16)15-30-21-9-10-22-24(14-21)31-25(26(22)27)12-18-7-8-20(28-3)13-23(18)29-4/h5-14H,15H2,1-4H3/b25-12-
• InChIKey: SZMNSBLIYLNLAV-ROTLSHHCSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164258018
• PubChem CID: 1763165

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.4805765
• LogD (pH = 7.4): 5.4805765
• Log P: 5.4805765
• 摩尔折射率: 121.1309 cm^3
• 极化性: 45.94118 Å^3
• 极化表面积: 53.99 Å^2
• 可自由旋转的化学键: 6
• 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