3-[(2-methoxyphenyl)methoxy]-4-methyl-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-one

• ChemBase编号: 194165
• 分子式: C23H24O4
• 平均质量: 364.43426
• 单一同位素质量: 364.16745925
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCc1c(OC)cccc1)CCCCC3
• Canonical SMILES: COc1ccccc1COc1ccc2c(c1C)oc(=O)c1c2CCCCC1
• InChI: InChI=1S/C23H24O4/c1-15-20(26-14-16-8-6-7-11-21(16)25-2)13-12-18-17-9-4-3-5-10-19(17)23(24)27-22(15)18/h6-8,11-13H,3-5,9-10,14H2,1-2H3
• InChIKey: YVPKOJHIVHAIEP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(2-methoxyphenyl)methoxy]-4-methyl-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-one
• IUPAC传统名: 3-[(2-methoxyphenyl)methoxy]-4-methyl-7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-one

登记号

• PubChem SID: 164250075
• PubChem CID: 1325422

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.270837
• LogD (pH = 7.4): 5.270837
• Log P: 5.270837
• 摩尔折射率: 104.7687 cm^3
• 极化性: 40.56632 Å^3
• 极化表面积: 44.76 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