4-methyl-2-oxo-2H-chromen-7-yl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate

• ChemBase编号: 185209
• 分子式: C27H18O7
• 平均质量: 454.42762
• 单一同位素质量: 454.10525292
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Oc1cc3oc(=O)cc(c3cc1)C)cc2)c1ccccc1
• Canonical SMILES: O=C(Oc1ccc2c(c1)oc(=O)cc2C)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C27H18O7/c1-16-11-25(28)33-23-13-19(8-9-20(16)23)32-27(30)15-31-18-7-10-21-22(17-5-3-2-4-6-17)14-26(29)34-24(21)12-18/h2-14H,15H2,1H3
• InChIKey: AWCLQSJMDROZLG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-2-oxo-2H-chromen-7-yl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate
• IUPAC传统名: 4-methyl-2-oxochromen-7-yl 2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetate

登记号

• PubChem SID: 164241119
• PubChem CID: 1551974

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.450231
• LogD (pH = 7.4): 4.450231
• Log P: 4.450231
• 摩尔折射率: 131.9684 cm^3
• 极化性: 47.20045 Å^3
• 极化表面积: 88.13 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