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

• ChemBase编号: 193267
• 分子式: C24H20O4
• 平均质量: 372.4132
• 单一同位素质量: 372.13615912
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCc1ccc(C=C)cc1)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCc1ccc(cc1)C=C
• InChI: InChI=1S/C24H20O4/c1-4-16-5-7-17(8-6-16)14-27-22-12-11-20-19-10-9-18(26-3)13-21(19)24(25)28-23(20)15(22)2/h4-13H,1,14H2,2-3H3
• InChIKey: OROBVRDQLCHOEB-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164249177
• PubChem CID: 1792935

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.5845814
• LogD (pH = 7.4): 5.5845814
• Log P: 5.5845814
• 摩尔折射率: 109.2056 cm^3
• 极化性: 43.044136 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds