4-oxo-3-phenoxy-4H-chromen-7-yl 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate

• ChemBase编号: 182090
• 分子式: C27H18O8
• 平均质量: 470.42702
• 单一同位素质量: 470.10016754
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)COc1cc3oc(=O)cc(c3cc1)C)cc2)Oc1ccccc1
• Canonical SMILES: O=C(Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C27H18O8/c1-16-11-25(28)35-23-12-18(7-9-20(16)23)31-15-26(29)34-19-8-10-21-22(13-19)32-14-24(27(21)30)33-17-5-3-2-4-6-17/h2-14H,15H2,1H3
• InChIKey: RGXTZAYGBILZAA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-oxo-3-phenoxy-4H-chromen-7-yl 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate
• IUPAC传统名: 4-oxo-3-phenoxychromen-7-yl 2-[(4-methyl-2-oxochromen-7-yl)oxy]acetate

登记号

• PubChem SID: 164238000
• PubChem CID: 1185803

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.4601817
• LogD (pH = 7.4): 4.4601817
• Log P: 4.4601817
• 摩尔折射率: 124.3825 cm^3
• 极化性: 47.814396 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