ethyl 2-{[4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetate

• ChemBase编号: 205263
• 分子式: C24H20O8
• 平均质量: 436.4108
• 单一同位素质量: 436.1158176
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)c(c(OCC(=O)OCC)cc2)C
• Canonical SMILES: CCOC(=O)COc1ccc2c(c1C)oc(=O)cc2c1cc2cccc(c2oc1=O)OC
• InChI: InChI=1S/C24H20O8/c1-4-29-21(26)12-30-18-9-8-15-16(11-20(25)31-22(15)13(18)2)17-10-14-6-5-7-19(28-3)23(14)32-24(17)27/h5-11H,4,12H2,1-3H3
• InChIKey: ZDXMPSDIDSYDBU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-{[4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetate
• IUPAC传统名: ethyl 2-{[4-(8-methoxy-2-oxochromen-3-yl)-8-methyl-2-oxochromen-7-yl]oxy}acetate

登记号

• PubChem SID: 164261173
• PubChem CID: 1772493

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.0875652
• LogD (pH = 7.4): 3.0875652
• Log P: 3.0875652
• 摩尔折射率: 114.302 cm^3
• 极化性: 43.81029 Å^3
• 极化表面积: 97.36 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