7-[(7-methoxy-2-oxo-2H-chromen-4-yl)methoxy]-3-(2-methoxyphenyl)-2-methyl-4H-chromen-4-one

• ChemBase编号: 195565
• 分子式: C28H22O7
• 平均质量: 470.47008
• 单一同位素质量: 470.13655304
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1c3c(oc(=O)c1)cc(cc3)OC)cc2)c1c(OC)cccc1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2COc1ccc2c(c1)oc(c(c2=O)c1ccccc1OC)C
• InChI: InChI=1S/C28H22O7/c1-16-27(21-6-4-5-7-23(21)32-3)28(30)22-11-9-19(14-25(22)34-16)33-15-17-12-26(29)35-24-13-18(31-2)8-10-20(17)24/h4-14H,15H2,1-3H3
• InChIKey: VFCYDZMGWAQVDV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-[(7-methoxy-2-oxo-2H-chromen-4-yl)methoxy]-3-(2-methoxyphenyl)-2-methyl-4H-chromen-4-one
• IUPAC传统名: 7-[(7-methoxy-2-oxochromen-4-yl)methoxy]-3-(2-methoxyphenyl)-2-methylchromen-4-one

登记号

• PubChem SID: 164251475
• PubChem CID: 1522878

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.3871875
• LogD (pH = 7.4): 4.3871875
• Log P: 4.3871875
• 摩尔折射率: 130.2929 cm^3
• 极化性: 49.630608 Å^3
• 极化表面积: 80.29 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds