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...

General Information

Structure

Molecular Formula

C₁₀H₁₂O

Molecular Mass

148.20168

Exact Mass

148.088815

Charge

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

Calculated Properties

JChem

LogD (pH = 7.4)

3.12

LogD (pH = 5.5)

3.12

Log P

3.12

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

10.39

Polar Surface Area

20.23

Polarizability

17.03

Molar Refractivity

45.52

LOG S

-2.91

Data Source

Names and Identifiers

IUPAC name

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

IUPAC Traditional name

tetralol

Synonyms

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5,6,7,8-tetrahydro-beta-naphthol6-hydroxytetralin5,6,7,8-tetrahydro-2-naphthalenol2-hydroxy-5,6,7,8-tetrahydronaphthalene5,6,7,8-Tetrahydro-2-naphthol6-tetralinol6-hydroxy-1,2,3,4-tetrahydronaphthalene5,6,7,8-tetrahydro-2-hydroxynaphthalene5,6,7,8-tetrahydro-2-naphthol

Names and Identifiers

Registration numbers

MDL Number

MFCD00001738

PubChem SID

16203577324850868135610215

PubChem CID

14305

EC Number

214-410-4

CAS Number

1125-78-6