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

• ChemBase编号: 201368
• 分子式: C26H24O6
• 平均质量: 432.46516
• 单一同位素质量: 432.15728849
• SMILES: C\1(=C\c2c(cc(c(c2)OC)OC)OC)/C(=O)c2c(O1)cc(OCc1c(C)cccc1)cc2
• Canonical SMILES: COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccccc1C)OC
• InChI: InChI=1S/C26H24O6/c1-16-7-5-6-8-17(16)15-31-19-9-10-20-22(13-19)32-25(26(20)27)12-18-11-23(29-3)24(30-4)14-21(18)28-2/h5-14H,15H2,1-4H3/b25-12-
• InChIKey: OMJUPSSJNPSREE-ROTLSHHCSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164257278
• PubChem CID: 1759699

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.8094835
• LogD (pH = 7.4): 4.8094835
• Log P: 4.8094835
• 摩尔折射率: 122.5529 cm^3
• 极化性: 46.69586 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