methyl 4-[({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)methyl]benzoate

• ChemBase编号: 191223
• 分子式: C24H20O6
• 平均质量: 404.412
• 单一同位素质量: 404.12598836
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCc1ccc(C(=O)OC)cc1)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCc1ccc(cc1)C(=O)OC
• InChI: InChI=1S/C24H20O6/c1-14-21(29-13-15-4-6-16(7-5-15)23(25)28-3)11-10-19-18-9-8-17(27-2)12-20(18)24(26)30-22(14)19/h4-12H,13H2,1-3H3
• InChIKey: UIKKAADVURQMRG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 4-[({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)methyl]benzoate
• IUPAC传统名: methyl 4-[({8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl}oxy)methyl]benzoate

登记号

• PubChem SID: 164247133
• PubChem CID: 2927078

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.8513565
• LogD (pH = 7.4): 4.8513565
• Log P: 4.8513565
• 摩尔折射率: 111.5446 cm^3
• 极化性: 43.91015 Å^3
• 极化表面积: 71.06 Å^2
• 可自由旋转的化学键: 6
• 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