ethyl 2-(4-methoxyphenyl)-5-[(3-methylbut-2-en-1-yl)oxy]-1-benzofuran-3-carboxylate

• ChemBase编号: 191224
• 分子式: C23H24O5
• 平均质量: 380.43366
• 单一同位素质量: 380.16237387
• SMILES: c1(c(oc2c1cc(cc2)OCC=C(C)C)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(oc2c1cc(OCC=C(C)C)cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C23H24O5/c1-5-26-23(24)21-19-14-18(27-13-12-15(2)3)10-11-20(19)28-22(21)16-6-8-17(25-4)9-7-16/h6-12,14H,5,13H2,1-4H3
• InChIKey: WLLNWSPXMDUBHW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-(4-methoxyphenyl)-5-[(3-methylbut-2-en-1-yl)oxy]-1-benzofuran-3-carboxylate
• IUPAC传统名: ethyl 2-(4-methoxyphenyl)-5-[(3-methylbut-2-en-1-yl)oxy]-1-benzofuran-3-carboxylate

登记号

• PubChem SID: 164247134
• PubChem CID: 1425210

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.1057844
• LogD (pH = 7.4): 5.1057844
• Log P: 5.1057844
• 摩尔折射率: 108.7313 cm^3
• 极化性: 44.12046 Å^3
• 极化表面积: 57.9 Å^2
• 可自由旋转的化学键: 8
• 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