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

• ChemBase编号: 226447
• 分子式: C25H26O7
• 平均质量: 438.46974
• 单一同位素质量: 438.16785317
• SMILES: c12c(OC(C2c2cc(c(OCC(C)C)cc2)OC)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(c(c1)OC)OCC(C)C)c(=O)oc1c2cccc1
• InChI: InChI=1S/C25H26O7/c1-5-29-25(27)23-20(15-10-11-18(19(12-15)28-4)30-13-14(2)3)21-22(32-23)16-8-6-7-9-17(16)31-24(21)26/h6-12,14,20,23H,5,13H2,1-4H3
• InChIKey: HGRVYFIKNDRHIZ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164282357
• PubChem CID: 71753612

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.6850367
• LogD (pH = 7.4): 3.6850367
• Log P: 3.6850367
• 摩尔折射率: 117.4024 cm^3
• 极化性: 45.802418 Å^3
• 极化表面积: 80.29 Å^2
• 可自由旋转的化学键: 8
• 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