CAS 2001-28-7|1-(4-methylphenyl)-2-phenylethan-1-one|4'-Methyl-2-phenylacetophenone|1-(4-methylphenyl)-2-phenylethanone|1-(4-Methylphenyl)-2-phenylethan-1-one|Benzyl 4-methylphenyl ketone|1-(4-Methy...

基本信息

化学结构

分子式

C₁₅H₁₄O

分子量

210.27106

精确质量

210.10446507

电荷

InChI

InChI=1S/C15H14O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChIKey

RDBAEHHVVNBKBB-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)C(=O)Cc1ccccc1

Isomeric Smiles

O=C(c1ccc(cc1)C)Cc1ccccc1

计算属性

JChem

Acid pKa

16.242144

质子受体

质子供体

LogD (pH = 5.5)

3.8786545

LogD (pH = 7.4)

3.8786545

Log P

3.8786545

摩尔折射率

66.2239

极化性

25.473072

极化表面积

17.07

可自由旋转的化学键

里宾斯基五规则

true

数据来源

学术数据

产品目录

数据来源

名称和标识

IUPAC标准名

1-(4-methylphenyl)-2-phenylethan-1-one

别名

4'-Methyl-2-phenylacetophenone1-(4-Methylphenyl)-2-phenylethan-1-oneBenzyl 4-methylphenyl ketone1-(4-Methylphenyl)-2-phenylethanone4’-Methyl-2-phenylacetophenone4-Methyldeoxybenzoin2-Phenyl-1-(4-tolyl)ethanoneNSC 205724-Methyl-α-phenylacetophenoneBenzyl p-Toluylketone

IUPAC传统名

1-(4-methylphenyl)-2-phenylethanone

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID