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

• ChemBase编号: 196116
• 分子式: C28H22O5
• 平均质量: 438.47128
• 单一同位素质量: 438.1467238
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1c3c(oc(=O)c1)cc(cc3C)C)cc2)c1ccccc1
• Canonical SMILES: Cc1cc(C)c2c(c1)oc(=O)cc2COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C
• InChI: InChI=1S/C28H22O5/c1-16-11-17(2)26-20(13-25(29)33-24(26)12-16)15-31-21-9-10-22-23(14-21)32-18(3)27(28(22)30)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
• InChIKey: HZWROWKBUARMGK-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164252026
• PubChem CID: 1800113

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.7293725
• LogD (pH = 7.4): 5.7293725
• Log P: 5.7293725
• 摩尔折射率: 127.4489 cm^3
• 极化性: 48.117855 Å^3
• 极化表面积: 61.83 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: Rare Derivatives of Natural Compounds