4-{7-[(4-ethenylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}-7,8-dimethoxy-2H-chromen-2-one

• ChemBase编号: 211513
• 分子式: C29H22O7
• 平均质量: 482.48078
• 单一同位素质量: 482.13655304
• SMILES: c1(c2c(=O)oc3c(c2)ccc(c3)OCc2ccc(C=C)cc2)c2c(c(c(cc2)OC)OC)oc(=O)c1
• Canonical SMILES: C=Cc1ccc(cc1)COc1ccc2c(c1)oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2OC)OC
• InChI: InChI=1S/C29H22O7/c1-4-17-5-7-18(8-6-17)16-34-20-10-9-19-13-23(29(31)35-25(19)14-20)22-15-26(30)36-27-21(22)11-12-24(32-2)28(27)33-3/h4-15H,1,16H2,2-3H3
• InChIKey: CALKPXKSBYVDHM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{7-[(4-ethenylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}-7,8-dimethoxy-2H-chromen-2-one
• IUPAC传统名: 4-{7-[(4-ethenylphenyl)methoxy]-2-oxochromen-3-yl}-7,8-dimethoxychromen-2-one

登记号

• PubChem SID: 164267423
• PubChem CID: 4838495

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.8969626
• LogD (pH = 7.4): 4.8969626
• Log P: 4.8969626
• 摩尔折射率: 134.4206 cm^3
• 极化性: 51.31937 Å^3
• 极化表面积: 80.29 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