{3-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol

• ChemBase编号: 312347
• 分子式: C11H14O2
• 平均质量: 178.22766
• 单一同位素质量: 178.09937969
• SMILES: C(=C)(COc1cc(CO)ccc1)C
• Canonical SMILES: OCc1cccc(c1)OCC(=C)C
• InChI: InChI=1S/C11H14O2/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-6,12H,1,7-8H2,2H3
• InChIKey: RJOQHHOJBRMRTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {3-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol
• IUPAC传统名: {3-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol
• 别名: {3-[(2-methyl-2-propen-1-yl)oxy]phenyl}methanol

登记号

• CAS号: 38002-96-9
• MDL号: MFCD08753013

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.022836
• LogD (pH = 7.4): 2.022836
• Log P: 2.022836
• 摩尔折射率: 52.7818 cm^3
• 极化性: 20.588259 Å^3
• 极化表面积: 29.46 Å^2