2-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-chromene

• ChemBase编号: 191667
• 分子式: C24H22O3
• 平均质量: 358.42968
• 单一同位素质量: 358.15689456
• SMILES: C1(=CC(c2c(O1)cccc2)c1ccc(cc1)C)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)C1=CC(c2c(O1)cccc2)c1ccc(cc1)C
• InChI: InChI=1S/C24H22O3/c1-16-8-10-17(11-9-16)20-15-23(27-21-7-5-4-6-19(20)21)18-12-13-22(25-2)24(14-18)26-3/h4-15,20H,1-3H3
• InChIKey: VBJVGLHLGSTJDA-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164247577
• PubChem CID: 2865433

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.3709173
• LogD (pH = 7.4): 5.3709173
• Log P: 5.3709173
• 摩尔折射率: 108.8192 cm^3
• 极化性: 41.636307 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