8-methoxy-3-[(3,4,5-trimethoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one

• ChemBase编号: 188854
• 分子式: C24H22O7
• 平均质量: 422.42728
• 单一同位素质量: 422.13655304
• SMILES: c1(=O)c2c(c3c(o1)cc(OCc1cc(c(c(c1)OC)OC)OC)cc3)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OCc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C24H22O7/c1-26-15-5-7-17-18-8-6-16(12-20(18)31-24(25)19(17)11-15)30-13-14-9-21(27-2)23(29-4)22(10-14)28-3/h5-12H,13H2,1-4H3
• InChIKey: NOBPLVDOGGPWPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methoxy-3-[(3,4,5-trimethoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one
• IUPAC传统名: 8-methoxy-3-[(3,4,5-trimethoxyphenyl)methoxy]benzo[c]chromen-6-one

登记号

• PubChem SID: 164244764
• PubChem CID: 1789060

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.8614442
• LogD (pH = 7.4): 3.8614442
• Log P: 3.8614442
• 摩尔折射率: 113.8677 cm^3
• 极化性: 45.283375 Å^3
• 极化表面积: 72.45 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