7-[(2,5-dimethylphenyl)methoxy]-2-methyl-3-phenyl-4H-chromen-4-one

• ChemBase编号: 201838
• 分子式: C25H22O3
• 平均质量: 370.44038
• 单一同位素质量: 370.15689456
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1c(ccc(c1)C)C)cc2)c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C)C
• InChI: InChI=1S/C25H22O3/c1-16-9-10-17(2)20(13-16)15-27-21-11-12-22-23(14-21)28-18(3)24(25(22)26)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
• InChIKey: XRUFXCNBTNMPCI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-[(2,5-dimethylphenyl)methoxy]-2-methyl-3-phenyl-4H-chromen-4-one
• IUPAC传统名: 7-[(2,5-dimethylphenyl)methoxy]-2-methyl-3-phenylchromen-4-one

登记号

• PubChem SID: 164257748
• PubChem CID: 1762324

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.1332855
• LogD (pH = 7.4): 6.1332855
• Log P: 6.1332855
• 摩尔折射率: 112.7175 cm^3
• 极化性: 42.77318 Å^3
• 极化表面积: 35.53 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