7-[(6,7-dimethyl-2-oxo-2H-chromen-4-yl)methoxy]-3-(2-methoxyphenyl)-2-methyl-4H-chromen-4-one

• ChemBase编号: 195278
• 分子式: C29H24O6
• 平均质量: 468.49726
• 单一同位素质量: 468.15728849
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1c3c(oc(=O)c1)cc(c(c3)C)C)cc2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1c(C)oc2c(c1=O)ccc(c2)OCc1cc(=O)oc2c1cc(C)c(c2)C
• InChI: InChI=1S/C29H24O6/c1-16-11-23-19(13-27(30)35-25(23)12-17(16)2)15-33-20-9-10-22-26(14-20)34-18(3)28(29(22)31)21-7-5-6-8-24(21)32-4/h5-14H,15H2,1-4H3
• InChIKey: DTCGCFSHOOECEU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-[(6,7-dimethyl-2-oxo-2H-chromen-4-yl)methoxy]-3-(2-methoxyphenyl)-2-methyl-4H-chromen-4-one
• IUPAC传统名: 7-[(6,7-dimethyl-2-oxochromen-4-yl)methoxy]-3-(2-methoxyphenyl)-2-methylchromen-4-one

登记号

• PubChem SID: 164251188
• PubChem CID: 1748623

理论计算性质

• 极化性: 50.63456 Å^3
• 极化表面积: 71.06 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.5717015
• LogD (pH = 7.4): 5.5717015
• Log P: 5.5717015
• 摩尔折射率: 133.9121 cm^3

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds