CAS 76155-78-7|CAS 100760-04-1|(1R)-1-(4-bromophenyl)ethan-1-ol|(1R)-1-(4-bromophenyl)ethanol|(1R)-1-(4-bromophenyl)ethan-1-ol|(S)-4-Bromo-alpha-methylbenzyl alcohol|(1S)-1-(4-Bromophenyl)ethan-1-ol...

General Information

Structure

Molecular Formula

C₈H₉BrO

Molecular Mass

201.06046

Exact Mass

199.98367691

Charge

InChI

InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m1/s1

InChIKey

XTDTYSBVMBQIBT-ZCFIWIBFSA-N

Canonic Smiles

C[C@H](c1ccc(cc1)Br)O

Isomeric Smiles

Brc1ccc(cc1)[C@H](O)C

Calculated Properties

JChem

Acid pKa

14.772234

H Acceptors

H Donor

LogD (pH = 5.5)

2.3912237

LogD (pH = 7.4)

2.3912237

Log P

2.3912237

Molar Refractivity

44.9155

Polarizability

17.40694

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(1R)-1-(4-bromophenyl)ethan-1-ol(S)-4-Bromo-alpha-methylbenzyl alcohol(1S)-1-(4-Bromophenyl)ethan-1-ol(R)-4-Bromo-α-methylbenzyl alcohol(R)-1-(4-溴苯基)乙醇(R)-4-溴-α-甲基苯甲醇(R)-4′-Bromo-1-phenylethanol(R)-4′-溴-1-苯基乙醇(R)-1-(4-Bromophenyl)ethanol(R)-1-(4-Bromophenyl)ethanol

IUPAC Traditional name

(1R)-1-(4-bromophenyl)ethanol

IUPAC name

(1R)-1-(4-bromophenyl)ethan-1-ol

Names and Identifiers

Registration numbers

PubChem CID

6950173

MDL Number

MFCD06201861

CAS Number

76155-78-7100760-04-1