chempirical

1-(4-Bromophenyl)ethanol

C8H9BrOCAS 5391-88-8201.06 g/mol

Open in Covalent MOL file
HOBr
AlcoholAryl halide

Properties

Molecular formula
C8H9BrO
Molar mass
201.06 g/mol
Exact mass
199.9837 Da
Density
1.463 g/mL (at 20 °C)
Melting point
20–30 °C
Boiling point
127–128 °C (at 11 Torr)
logP
2.50Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
5391-88-8
SMILES
CC(O)c1ccc(Br)cc1
InChIKey
XTDTYSBVMBQIBT-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • Benzenemethanol, 4-bromo-α-methyl-
  • Benzyl alcohol, p-bromo-α-methyl-
  • 4-Bromo-α-methylbenzenemethanol
  • p-Bromo-α-methylbenzyl alcohol
  • (4-Bromophenyl)methylcarbinol
  • 1-(p-Bromophenyl)ethanol
  • 4-(1-Hydroxyethyl)bromobenzene
  • p-Bromophenyl methyl carbinol
  • 4-Bromo-α-methylbenzyl alcohol
  • (±)-1-(4-Bromophenyl)ethanol
  • NSC 3223
  • (±)-1-(p-Bromophenyl)ethanol
  • 1-(4-Bromophenyl)ethan-1-ol

Work with 1-(4-Bromophenyl)ethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(4-Hydroxyphenyl)ethanol2380-91-864 % similar 1-(3-Bromophenyl)ethanol52780-14-059 % similar 1-(4-Methylphenyl)ethanol536-50-558 % similar 1-Phenylethanol13323-81-456 % similar (S)-1-Phenylethanol1445-91-656 % similar (+)-1-Phenylethanol1517-69-756 % similar 1-Bromo-4-isopropylbenzene586-61-856 % similar 1-Phenylethanol98-85-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 1-(2-Bromophenyl)ethan-1-ol114446-55-8 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 2-Bromo-4-methylanisole22002-45-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook