ethyl 3-[4-methoxy-3-(4-methylphenoxy)phenyl]prop-2-enoate

• ChemBase编号: 85308
• 分子式: C19H20O4
• 平均质量: 312.3597
• 单一同位素质量: 312.13615912
• SMILES: O(c1cc(ccc1OC)/C=C/C(=O)OCC)c1ccc(cc1)C
• Canonical SMILES: CCOC(=O)/C=C/c1ccc(c(c1)Oc1ccc(cc1)C)OC
• InChI: InChI=1S/C19H20O4/c1-4-22-19(20)12-8-15-7-11-17(21-3)18(13-15)23-16-9-5-14(2)6-10-16/h5-13H,4H2,1-3H3
• InChIKey: PSVOWHJBWQMDQO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-[4-methoxy-3-(4-methylphenoxy)phenyl]prop-2-enoate
• IUPAC传统名: ethyl 3-[4-methoxy-3-(4-methylphenoxy)phenyl]prop-2-enoate
• 别名: ethyl 3-[4-methoxy-3-(4-methylphenoxy)phenyl]acrylate

登记号

• MDL号: MFCD01570979
• PubChem SID: 162072424
• PubChem CID: 5378794

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.728159
• LogD (pH = 7.4): 4.728159
• Log P: 4.728159
• 摩尔折射率: 90.3228 cm^3
• 极化性: 34.739265 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true