4-(4-methoxyphenyl)-8-methyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-chromen-2-one

• ChemBase编号: 188831
• 分子式: C27H26O7
• 平均质量: 462.49114
• 单一同位素质量: 462.16785317
• SMILES: c12c(c(cc(=O)o1)c1ccc(cc1)OC)ccc(c2C)OCc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)OCc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C27H26O7/c1-16-22(33-15-17-12-23(30-3)27(32-5)24(13-17)31-4)11-10-20-21(14-25(28)34-26(16)20)18-6-8-19(29-2)9-7-18/h6-14H,15H2,1-5H3
• InChIKey: KAVUYDLTIFZVBN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-methoxyphenyl)-8-methyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-chromen-2-one
• IUPAC传统名: 4-(4-methoxyphenyl)-8-methyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one

登记号

• PubChem SID: 164244741
• PubChem CID: 1789049

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.666096
• LogD (pH = 7.4): 4.666096
• Log P: 4.666096
• 摩尔折射率: 137.0711 cm^3
• 极化性: 49.233604 Å^3
• 极化表面积: 72.45 Å^2
• 可自由旋转的化学键: 8
• 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