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

• ChemBase编号: 194627
• 分子式: C27H22O3
• 平均质量: 394.46178
• 单一同位素质量: 394.15689456
• SMILES: c12c(c(c(c(=O)o1)CC)C)cc1c(c2C)occ1c1ccc(cc1)c1ccccc1
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C27H22O3/c1-4-21-16(2)22-14-23-24(15-29-25(23)17(3)26(22)30-27(21)28)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3
• InChIKey: DHDXWYNKLXEAQH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164250537
• PubChem CID: 1748270

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.8898687
• LogD (pH = 7.4): 6.8898687
• Log P: 6.8898687
• 摩尔折射率: 118.9434 cm^3
• 极化性: 49.47834 Å^3
• 极化表面积: 39.44 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