2-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-4H-chromene

• ChemBase编号: 193154
• 分子式: C24H22O3
• 平均质量: 358.42968
• 单一同位素质量: 358.15689456
• SMILES: C1(=C(C(c2c(O1)cccc2)c1ccccc1)C)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)C1=C(C)C(c2c(O1)cccc2)c1ccccc1
• InChI: InChI=1S/C24H22O3/c1-16-23(17-9-5-4-6-10-17)19-11-7-8-12-20(19)27-24(16)18-13-14-21(25-2)22(15-18)26-3/h4-15,23H,1-3H3
• InChIKey: CRUJUVBDNKOWQA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-4H-chromene
• IUPAC传统名: 2-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-4H-chromene

登记号

• PubChem SID: 164249064
• PubChem CID: 5188876

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.1008573
• LogD (pH = 7.4): 5.1008573
• Log P: 5.1008573
• 摩尔折射率: 108.06 cm^3
• 极化性: 41.71573 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 4
• 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