chempirical

3-Bromophenethyl alcohol

C8H9BrOCAS 28229-69-8201.06 g/mol

Open in Covalent MOL file
BrOH
AlcoholAryl halide

Properties

Molecular formula
C8H9BrO
Molar mass
201.06 g/mol
Exact mass
199.9837 Da
logP
1.98Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
28229-69-8
SMILES
C1=CC(=CC(=C1)Br)CCO
InChIKey
PTTFLKHCSZSFOL-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2

Weigh it out

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Names and synonyms

1 names
  • 2-(3-Bromophenyl)ethan-1-ol

Work with 3-Bromophenethyl alcohol

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

3-Bromobenzenemethanol15852-73-064 % similar 3-Bromophenethylamine58971-11-260 % similar 2-(4-Bromophenyl)ethanol4654-39-159 % similar 3-Hydroxybenzeneethanol13398-94-257 % similar 2-(3-Chlorophenyl)ethanol5182-44-557 % similar 3-Fluorophenethyl alcohol52059-53-757 % similar 2-(3-Aminophenyl)ethanol52273-77-557 % similar 3-Bromobenzyl bromide823-78-955 % 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 (4-Bromo-2-methylphenyl)methanol17100-58-2

Elsewhere

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