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

• ChemBase编号: 194106
• 分子式: C25H24O3
• 平均质量: 372.45626
• 单一同位素质量: 372.17254463
• SMILES: C1(=C(C(c2c(O1)cccc2)c1c(C)cccc1)C)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)C1=C(C)C(c2c(O1)cccc2)c1ccccc1C
• InChI: InChI=1S/C25H24O3/c1-16-9-5-6-10-19(16)24-17(2)25(28-21-12-8-7-11-20(21)24)18-13-14-22(26-3)23(15-18)27-4/h5-15,24H,1-4H3
• InChIKey: BLUILMSZRZVUTA-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164250016
• PubChem CID: 3713464

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.6142783
• LogD (pH = 7.4): 5.6142783
• Log P: 5.6142783
• 摩尔折射率: 113.1012 cm^3
• 极化性: 43.482063 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