ethyl 3-[3-methoxy-4-(propan-2-yloxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 226846
• 分子式: C24H24O7
• 平均质量: 424.44316
• 单一同位素质量: 424.15220311
• SMILES: c12c(OC(C2c2cc(c(OC(C)C)cc2)OC)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(c(c1)OC)OC(C)C)c(=O)oc1c2cccc1
• InChI: InChI=1S/C24H24O7/c1-5-28-24(26)22-19(14-10-11-17(29-13(2)3)18(12-14)27-4)20-21(31-22)15-8-6-7-9-16(15)30-23(20)25/h6-13,19,22H,5H2,1-4H3
• InChIKey: MBQXIOVCZFVBFI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-[3-methoxy-4-(propan-2-yloxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC传统名: ethyl 3-(4-isopropoxy-3-methoxyphenyl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164282756
• PubChem CID: 71753995

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.2141166
• LogD (pH = 7.4): 3.2141166
• Log P: 3.2141166
• 摩尔折射率: 112.8256 cm^3
• 极化性: 43.96609 Å^3
• 极化表面积: 80.29 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds