1-(ethoxymethyl)-4-methoxybenzene

• ChemBase编号: 160717
• 分子式: C10H14O2
• 平均质量: 166.21696
• 单一同位素质量: 166.09937969
• SMILES: c1c(ccc(c1)COCC)OC
• Canonical SMILES: CCOCc1ccc(cc1)OC
• InChI: InChI=1S/C10H14O2/c1-3-12-8-9-4-6-10(11-2)7-5-9/h4-7H,3,8H2,1-2H3
• InChIKey: MAJJDGWXCUOAJY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(ethoxymethyl)-4-methoxybenzene
• IUPAC传统名: 1-(ethoxymethyl)-4-methoxybenzene
• 别名: 1-(Ethoxymethyl)-4-methoxybenzene; α-Ethoxy-4-methoxytoluene; α-Ethoxy-p-methoxytoluene; 4-Methoxybenzyl Ethyl Ether; Ethyl 4-Methoxybenzyl Ether; Ethyl p-Methoxybenzyl Ether; p-Anisyl Ethyl Ether

登记号

• CAS号: 55249-73-5
• PubChem SID: 162254852
• PubChem CID: 3016948

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.0481591
• LogD (pH = 7.4): 2.0481591
• Log P: 2.0481591
• 摩尔折射率: 48.8369 cm^3
• 极化性: 19.056784 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - A673980

p-Anisyl Ethyl Ether is an aromatic component of vanilla beans as well as a flavour constituent in rum. p-Anisyl Ethyl Ether has potential use as an arachidonic acid metabolism inhibitors.

参考文献

• Shiota, H. et al.: Koryo, 113, 65 (1975)
• ter Heide, R. et al.: Qual. Foods Bev. Chem. Technol., 2, 183 (1975)