6-ethyl-3-(4-methoxyphenyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one

• ChemBase编号: 194561
• 分子式: C22H20O4
• 平均质量: 348.3918
• 单一同位素质量: 348.13615912
• SMILES: c12c(c(c(c(=O)o1)CC)C)cc1c(c2C)occ1c1ccc(cc1)OC
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)OC
• InChI: InChI=1S/C22H20O4/c1-5-16-12(2)17-10-18-19(14-6-8-15(24-4)9-7-14)11-25-20(18)13(3)21(17)26-22(16)23/h6-11H,5H2,1-4H3
• InChIKey: NZHOVMLEEDKNGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-ethyl-3-(4-methoxyphenyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one
• IUPAC传统名: 6-ethyl-3-(4-methoxyphenyl)-5,9-dimethylfuro[3,2-g]chromen-7-one

登记号

• PubChem SID: 164250471
• PubChem CID: 906851

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.0849724
• LogD (pH = 7.4): 5.0849724
• Log P: 5.0849724
• 摩尔折射率: 100.2704 cm^3
• 极化性: 40.87584 Å^3
• 极化表面积: 48.67 Å^2
• 可自由旋转的化学键: 3
• 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