2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione

• ChemBase编号: 220635
• 分子式: C24H24O6
• 平均质量: 408.44376
• 单一同位素质量: 408.15728849
• SMILES: c12c3c(cc(=O)oc3cc(c1C(=O)CC(O2)c1c(cc(cc1)OC)OC)C)CCC
• Canonical SMILES: CCCc1cc(=O)oc2c1c1OC(CC(=O)c1c(c2)C)c1ccc(cc1OC)OC
• InChI: InChI=1S/C24H24O6/c1-5-6-14-10-21(26)29-20-9-13(2)22-17(25)12-19(30-24(22)23(14)20)16-8-7-15(27-3)11-18(16)28-4/h7-11,19H,5-6,12H2,1-4H3
• InChIKey: OZMCKIQIRHEUTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione
• IUPAC传统名: 2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2H,3H-pyrano[2,3-f]chromene-4,8-dione

登记号

• PubChem SID: 164276545
• PubChem CID: 42648634

理论计算性质

• Acid pKa: 14.268126
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.2925286
• LogD (pH = 7.4): 4.2925286
• Log P: 4.2925286
• 摩尔折射率: 112.2893 cm^3
• 极化性: 43.148415 Å^3
• 极化表面积: 71.06 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds