7-methyl-9-[(3,4,5-trimethoxyphenyl)methoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

• ChemBase编号: 188764
• 分子式: C23H24O6
• 平均质量: 396.43306
• 单一同位素质量: 396.15728849
• SMILES: c12c3c(oc(=O)c1CCC2)cc(cc3OCc1cc(c(c(c1)OC)OC)OC)C
• Canonical SMILES: COc1c(OC)cc(cc1OC)COc1cc(C)cc2c1c1CCCc1c(=O)o2
• InChI: InChI=1S/C23H24O6/c1-13-8-17(21-15-6-5-7-16(15)23(24)29-18(21)9-13)28-12-14-10-19(25-2)22(27-4)20(11-14)26-3/h8-11H,5-7,12H2,1-4H3
• InChIKey: VRPSPVGICWKURP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-methyl-9-[(3,4,5-trimethoxyphenyl)methoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
• IUPAC传统名: 7-methyl-9-[(3,4,5-trimethoxyphenyl)methoxy]-1H,2H,3H-cyclopenta[c]chromen-4-one

登记号

• PubChem SID: 164244674
• PubChem CID: 1325657

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.066357
• LogD (pH = 7.4): 4.066357
• Log P: 4.066357
• 摩尔折射率: 108.4931 cm^3
• 极化性: 41.932484 Å^3
• 极化表面积: 63.22 Å^2
• 可自由旋转的化学键: 6
• 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