CAS 1125-78-6|5,6,7,8-tetrahydronaphthalen-2-ol|tetralol|5,6,7,8-tetrahydronaphthalen-2-ol|5,6,7,8-Tetrahydro-2-naphthol|5,6,7,8-Tetrahydro-2-naphthol|5,6,7,8-四氢-2-萘酚|5,6,7,8-tetrahydro-beta-nap...

基本信息

化学结构

分子式

C₁₀H₁₂O

分子量

148.20168

精确质量

148.088815

电荷

InChI

InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2

InChIKey

UMKXSOXZAXIOPJ-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)CCCC2

Isomeric Smiles

c1c(ccc2CCCCc12)O

计算属性

JChem

LogD (pH = 7.4)

3.12

LogD (pH = 5.5)

3.12

Log P

3.12

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

10.39

极化表面积

20.23

极化性

17.03

摩尔折射率

45.52

LOG S

-2.91

数据来源

名称和标识

IUPAC标准名

5,6,7,8-tetrahydronaphthalen-2-ol

IUPAC传统名

tetralol

别名

5,6,7,8-tetrahydronaphthalen-2-ol5,6,7,8-Tetrahydro-2-naphthol5,6,7,8-Tetrahydro-2-naphthol5,6,7,8-四氢-2-萘酚6-tetralinol5,6,7,8-tetrahydro-2-naphthol6-hydroxy-1,2,3,4-tetrahydronaphthalene2-hydroxy-5,6,7,8-tetrahydronaphthalene5,6,7,8-Tetrahydro-2-naphthol6-hydroxytetralin5,6,7,8-tetrahydro-2-hydroxynaphthalene5,6,7,8-tetrahydro-2-naphthalenol5,6,7,8-tetrahydro-beta-naphthol

名称和标识

数据登录号

MDL号

MFCD00001738

PubChem SID

16203577324850868135610215

PubChem CID

14305

EC号

214-410-4

CAS号

1125-78-6