CAS 611-99-4|bis(4-hydroxyphenyl)methanone|4-(4-hydroxybenzoyl)phenol|4-(4-hydroxybenzoyl)phenol|4,4'-dihydroxybenzophenone|4,4′-Dihydroxybenzophenone|4,4′-二羟二苯甲酮|4,4'-Dihydroxybenzophenone|...

基本信息

化学结构

分子式

C₁₃H₁₀O₃

分子量

214.2167

精确质量

214.06299418

电荷

InChI

InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H

InChIKey

RXNYJUSEXLAVNQ-UHFFFAOYSA-N

Canonic Smiles

O=C(c1ccc(cc1)O)c1ccc(cc1)O

Isomeric Smiles

c1cc(ccc1O)C(=O)c1ccc(cc1)O

计算属性

JChem

Acid pKa

7.550018

质子受体

质子供体

LogD (pH = 5.5)

2.8216317

LogD (pH = 7.4)

2.5647168

Log P

2.8254683

摩尔折射率

60.5953

极化性

23.180384

极化表面积

57.53

可自由旋转的化学键

里宾斯基五规则

true

ALOGPS 2.1

Log P

2.77

LOG S

-3.05

溶解度

1.90e-01 g/l

数据来源

名称和标识

别名

bis(4-hydroxyphenyl)methanone4,4′-Dihydroxybenzophenone4,4′-二羟二苯甲酮4,4'-DihydroxybenzophenoneBenzophenone, 4,4’dihydroxy-(7Cl,8Cl)4,4’-dihydroxydiphenyl ketoneBis(4-hydroxyphenyl) ketoneHBP (ketone)HBPNSCBis(4-hydroxyphenyl)methanoneNSC 28314,4'-Dihydroxy-benzophenone4,4'-Dihydroxydiphenyl KetoneBis(4-hydroxy)benzophenone4,4'-二羟基苯甲酮4,4'-Dihydroxybenzophenone

IUPAC标准名

4-(4-hydroxybenzoyl)phenol

IUPAC传统名

4-(4-hydroxybenzoyl)phenol 4,4'-dihydroxybenzophenone

名称和标识

数据登录号

CAS号

611-99-4

PubChem CID

69150

MDL号

MFCD00002358