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

• ChemBase编号: 226914
• 分子式: C29H26O7
• 平均质量: 486.51254
• 单一同位素质量: 486.16785317
• SMILES: c12c(OC(C2c2cc(c(cc2)OCCc2ccccc2)OC)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(c(c1)OC)OCCc1ccccc1)c(=O)oc1c2cccc1
• InChI: InChI=1S/C29H26O7/c1-3-33-29(31)27-24(25-26(36-27)20-11-7-8-12-21(20)35-28(25)30)19-13-14-22(23(17-19)32-2)34-16-15-18-9-5-4-6-10-18/h4-14,17,24,27H,3,15-16H2,1-2H3
• InChIKey: MXMNOHPXCGGPRN-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164282824
• PubChem CID: 71754060

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.453868
• LogD (pH = 7.4): 4.453868
• Log P: 4.453868
• 摩尔折射率: 133.0258 cm^3
• 极化性: 51.619972 Å^3
• 极化表面积: 80.29 Å^2
• 可自由旋转的化学键: 9
• 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