CAS 1445-91-6|(S)-(-)-仲苯乙醇|(1S)-1-phenylethan-1-ol|(S)-1-phenylethanol|(S)-(-)-1-苯乙醇|(S)-(-)-1-Phenylethanol|(S)-(-)-α-甲基苄醇|(-)-甲基苯基甲醇|(-)-Methyl phenyl carbinol|(S)-(-)-α-Methylb...

General Information

Structure

Molecular Formula

C₈H₁₀O

Molecular Mass

122.1644

Exact Mass

122.07316494

Charge

InChI

InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1

InChIKey

WAPNOHKVXSQRPX-ZETCQYMHSA-N

Canonic Smiles

C[C@@H](c1ccccc1)O

Isomeric Smiles

C[C@@H](c1ccccc1)O

Calculated Properties

JChem

LogD (pH = 7.4)

1.62

LogD (pH = 5.5)

1.62

Log P

1.62

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

14.81

Polar Surface Area

20.23

Polarizability

13.71

Molar Refractivity

37.29

LOG S

-1.24

Data Source

Names and Identifiers

Synonyms

(S)-(-)-仲苯乙醇(S)-(-)-1-苯乙醇(S)-(-)-1-Phenylethanol(-)-甲基苯基甲醇(S)-(-)-α-甲基苄醇(-)-Methyl phenyl carbinol(S)-(-)-sec-Phenylethyl alcohol(S)-(-)-α-Methylbenzyl alcohol(S)-(-)-alpha-Methylbenzyl alcohol(S)-(-)-sec-Phenethyl alcohol(1S)-1-phenylethanol(S)-1-Phenylethanol(S)-(-)-1-苯基乙醇(S)-1-phenylethanol(S)-alpha-methylbenzenemethanol(S)-1-Phenylethanol(S)-1-phenylethanol(S)-1-Phenethyl alcohol

IUPAC Traditional name

(S)-1-phenylethanol

IUPAC name

(1S)-1-phenylethan-1-ol

Names and Identifiers

Registration numbers

MDL Number

MFCD00064264

Beilstein Number

2039797

CAS Number

1445-91-6