3-(2-ethoxyphenoxy)-7-[(3-methoxyphenyl)methoxy]-2-methyl-4H-chromen-4-one

• ChemBase编号: 201617
• 分子式: C26H24O6
• 平均质量: 432.46516
• 单一同位素质量: 432.15728849
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1cc(OC)ccc1)cc2)Oc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OCc1cccc(c1)OC
• InChI: InChI=1S/C26H24O6/c1-4-29-22-10-5-6-11-23(22)32-26-17(2)31-24-15-20(12-13-21(24)25(26)27)30-16-18-8-7-9-19(14-18)28-3/h5-15H,4,16H2,1-3H3
• InChIKey: LCQKPKPYTBMSKI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(2-ethoxyphenoxy)-7-[(3-methoxyphenyl)methoxy]-2-methyl-4H-chromen-4-one
• IUPAC传统名: 3-(2-ethoxyphenoxy)-7-[(3-methoxyphenyl)methoxy]-2-methylchromen-4-one

登记号

• PubChem SID: 164257527
• PubChem CID: 1760589

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 5.0368485
• LogD (pH = 7.4): 5.0368485
• Log P: 5.0368485
• 摩尔折射率: 122.0853 cm^3
• 极化性: 46.69965 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