3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(5,7-dimethyl-2-oxo-2H-chromen-4-yl)methoxy]-6-propyl-4H-chromen-4-one

• ChemBase编号: 197618
• 分子式: C32H28O7
• 平均质量: 524.56052
• 单一同位素质量: 524.18350324
• SMILES: c1(c(=O)c2c(oc1)cc(c(c2)CCC)OCc1c2c(oc(=O)c1)cc(cc2C)C)c1cc2c(OCCO2)cc1
• Canonical SMILES: CCCc1cc2c(cc1OCc1cc(=O)oc3c1c(C)cc(c3)C)occ(c2=O)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C32H28O7/c1-4-5-21-12-23-27(38-17-24(32(23)34)20-6-7-25-28(13-20)36-9-8-35-25)15-26(21)37-16-22-14-30(33)39-29-11-18(2)10-19(3)31(22)29/h6-7,10-15,17H,4-5,8-9,16H2,1-3H3
• InChIKey: XBDHZJIPYZGSQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(5,7-dimethyl-2-oxo-2H-chromen-4-yl)methoxy]-6-propyl-4H-chromen-4-one
• IUPAC传统名: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(5,7-dimethyl-2-oxochromen-4-yl)methoxy]-6-propylchromen-4-one

登记号

• PubChem SID: 164253528
• PubChem CID: 1751404

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 6.4429913
• LogD (pH = 7.4): 6.4429913
• Log P: 6.4429913
• 摩尔折射率: 146.8304 cm^3
• 极化性: 56.03391 Å^3
• 极化表面积: 80.29 Å^2
• 可自由旋转的化学键: 6
• 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