3-(3,4-dimethoxyphenyl)-7-(2-{[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}ethoxy)-2-methyl-4H-chromen-4-one

• ChemBase编号: 217181
• 分子式: C38H34O10
• 平均质量: 650.67056
• 单一同位素质量: 650.21519729
• SMILES: c1(c(=O)c2c(oc1C)cc(cc2)OCCOc1cc2c(c(=O)c(c(o2)C)c2cc(c(cc2)OC)OC)cc1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1c(C)oc2c(c1=O)ccc(c2)OCCOc1ccc2c(c1)oc(c(c2=O)c1ccc(c(c1)OC)OC)C
• InChI: InChI=1S/C38H34O10/c1-21-35(23-7-13-29(41-3)33(17-23)43-5)37(39)27-11-9-25(19-31(27)47-21)45-15-16-46-26-10-12-28-32(20-26)48-22(2)36(38(28)40)24-8-14-30(42-4)34(18-24)44-6/h7-14,17-20H,15-16H2,1-6H3
• InChIKey: HVMYWPYSJXHMFT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(3,4-dimethoxyphenyl)-7-(2-{[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}ethoxy)-2-methyl-4H-chromen-4-one
• IUPAC传统名: 3-(3,4-dimethoxyphenyl)-7-(2-{[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxy}ethoxy)-2-methylchromen-4-one

登记号

• PubChem SID: 164273091
• PubChem CID: 16407289

理论计算性质

• 质子受体: 10
• 质子供体: 0
• LogD (pH = 5.5): 5.9617295
• LogD (pH = 7.4): 5.9617295
• Log P: 5.9617295
• 摩尔折射率: 179.9288 cm^3
• 极化性: 68.605606 Å^3
• 极化表面积: 107.98 Å^2
• 可自由旋转的化学键: 11
• 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