chempirical

3-Fluorophenethyl alcohol

C8H9FOCAS 52059-53-7140.16 g/mol

Open in Covalent MOL file
FOH
AlcoholAryl halide

Properties

Molecular formula
C8H9FO
Molar mass
140.16 g/mol
Exact mass
140.0637 Da
logP
1.36Crippen 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
52059-53-7
SMILES
C1=CC(=CC(=C1)F)CCO
InChIKey
MZNBGEKFZCWVES-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2

Weigh it out

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

Names and synonyms

1 names
  • 2-(3-Fluorophenyl)ethanol

Work with 3-Fluorophenethyl 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-Fluorobenzyl alcohol456-47-363 % similar 4-Fluorobenzeneethanol7589-27-762 % similar 3-Hydroxybenzeneethanol13398-94-259 % similar 3-Fluorophenethyl bromide25017-13-459 % similar 3-Fluorophenethylamine404-70-659 % similar 2-(3-Chlorophenyl)ethanol5182-44-559 % similar 2-(3-Aminophenyl)ethanol52273-77-559 % similar 3-Methylbenzeneethanol1875-89-457 % similar

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

Same formula

(R)-1-(4-Fluorophenyl)ethanol101219-68-5 (-)-1-(4-Fluorophenyl)ethanol101219-73-2 (S)-1-(2-Fluorophenyl)ethanol171032-87-4 3-Fluoro-4-methylbenzyl alcohol192702-79-7 1-Fluoro-4-methoxy-2-methylbenzene2338-54-7 4-Fluoro-1-methoxy-2-methylbenzene399-54-2 2-Fluoro-4-methylanisole399-55-3 3-Fluoro-α-methylbenzenemethanol402-63-1

Elsewhere

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