CAS 876-02-8|1-(4-hydroxy-3-methylphenyl)ethan-1-one|4'-Hydroxy-3'-methylacetophenone|1-(4-hydroxy-3-methylphenyl)ethanone|4'-羟基-3-甲基苯乙酮|4'-Hydroxy-3'-methylacetophenone|4′-Hydroxy-3′-methy...

基本信息

化学结构

分子式

C₉H₁₀O₂

分子量

150.1745

精确质量

150.06807956

电荷

InChI

InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3

InChIKey

LXBHHIZIQVZGFN-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1ccc(c(c1)C)O

Isomeric Smiles

C(=O)(c1cc(c(cc1)O)C)C

计算属性

JChem

LogD (pH = 7.4)

1.67

LogD (pH = 5.5)

1.74

Log P

1.74

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

8.15

极化表面积

37.30

极化性

16.07

摩尔折射率

43.48

LOG S

-1.63

数据来源

名称和标识

IUPAC标准名

1-(4-hydroxy-3-methylphenyl)ethan-1-one

别名

4'-Hydroxy-3'-methylacetophenone4'-羟基-3-甲基苯乙酮4'-Hydroxy-3'-methylacetophenone4′-Hydroxy-3′-methylacetophenone1-(4-hydroxy-3-methylphenyl)ethan-1-one4′-羟基-3′-甲基苯乙酮4-hydroxy-3-methylacetophenone3'-methyl-4'-hydroxyacetophenone4-acetyl-2-methylphenol1-(4-hydroxy-3-methylphenyl)ethan-1-one1-(3-methyl-4-hydroxyphenyl)ethanone4'-hydroxy-3'-methylacetophenone1-(4-hydroxy-3-methyl-phenyl)ethanone2-methyl-4-acetylphenol

IUPAC传统名

1-(4-hydroxy-3-methylphenyl)ethanone

名称和标识

数据登录号

CAS号

MDL号

Beilstein号

EC号