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

• ChemBase编号: 188867
• 分子式: C25H24O7
• 平均质量: 436.45386
• 单一同位素质量: 436.15220311
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCc1cc(c(c(c1)OC)OC)OC)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C25H24O7/c1-14-20(31-13-15-10-21(28-3)24(30-5)22(11-15)29-4)9-8-18-17-7-6-16(27-2)12-19(17)25(26)32-23(14)18/h6-12H,13H2,1-5H3
• InChIKey: IPNDHBZONHLCAP-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164244777
• PubChem CID: 2919777

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.3748655
• LogD (pH = 7.4): 4.3748655
• Log P: 4.3748655
• 摩尔折射率: 118.9089 cm^3
• 极化性: 47.04891 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