6-ethyl-4-phenyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-chromen-2-one

• ChemBase编号: 188671
• 分子式: C27H26O6
• 平均质量: 446.49174
• 单一同位素质量: 446.17293855
• SMILES: c1(c2c(oc(=O)c1)cc(c(c2)CC)OCc1cc(c(c(c1)OC)OC)OC)c1ccccc1
• Canonical SMILES: CCc1cc2c(cc1OCc1cc(OC)c(c(c1)OC)OC)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C27H26O6/c1-5-18-13-21-20(19-9-7-6-8-10-19)14-26(28)33-23(21)15-22(18)32-16-17-11-24(29-2)27(31-4)25(12-17)30-3/h6-15H,5,16H2,1-4H3
• InChIKey: WFHVOUDTPCPUKL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-ethyl-4-phenyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-chromen-2-one
• IUPAC传统名: 6-ethyl-4-phenyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one

登记号

• PubChem SID: 164244581
• PubChem CID: 1188214

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.2683363
• LogD (pH = 7.4): 5.2683363
• Log P: 5.2683363
• 摩尔折射率: 135.2089 cm^3
• 极化性: 48.5493 Å^3
• 极化表面积: 63.22 Å^2
• 可自由旋转的化学键: 8
• 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