CAS 93-54-9|1-phenylpropan-1-ol|1-phenyl-1-propanol|1-Phenyl-1-propanol|ETHYLPHENYLCARBINOL|α-Ethylbenzyl alcohol|1-Phenyl-1-propanol|α-苯丙醇|(±)-1-Phenylpropanol|(±)-1-苯丙醇|1-苯基-1-丙醇|(±...

General Information

Structure

Molecular Formula

C₉H₁₂O

Molecular Mass

136.19098

Exact Mass

136.088815

Charge

InChI

InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

InChIKey

DYUQAZSOFZSPHD-UHFFFAOYSA-N

Canonic Smiles

CCC(c1ccccc1)O

Isomeric Smiles

OC(c1ccccc1)CC

Calculated Properties

JChem

Acid pKa

14.494065

H Acceptors

H Donor

LogD (pH = 5.5)

2.1449935

LogD (pH = 7.4)

2.1449935

Log P

2.1449935

Molar Refractivity

41.8167

Polarizability

16.486162

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-phenylpropan-1-ol

IUPAC Traditional name

1-phenyl-1-propanol

Synonyms

1-Phenyl-1-propanolETHYLPHENYLCARBINOLα-Ethylbenzyl alcohol1-Phenyl-1-propanolα-苯丙醇(±)-1-Phenylpropanol(±)-1-苯丙醇1-苯基-1-丙醇(±)-1-苯基-1-丙醇(±)-α-Ethylbenzyl alcohol(±)-α-苯丙醇(±)-1-Phenyl-1-propanolPhenyl ethyl carbinol(+/-)-alpha-Ethylbenzyl alcohol(+/-)-1-苯基-1-丙醇1-phenylpropan-1-ol

Names and Identifiers

Registration numbers

PubChem SID

162040042248470222488738124901372

PubChem CID

CAS Number

EC Number

Beilstein Number