chempirical

4-Fluorobenzeneethanol

C8H9FOCAS 7589-27-7140.16 g/mol

Open in Covalent MOL file
HOF
AlcoholAryl halide

Properties

Molecular formula
C8H9FO
Molar mass
140.16 g/mol
Exact mass
140.0637 Da
Density
1.137 g/mL (at 20 °C)
Boiling point
117–118 °C (at 20 Torr)
logP
1.36Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
7589-27-7
SMILES
OCCc1ccc(F)cc1
InChIKey
MWUVGXCUHWKQJE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2

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

Names and synonyms

7 names
  • Benzeneethanol, 4-fluoro-
  • Phenethyl alcohol, p-fluoro-
  • p-Fluorophenethyl alcohol
  • 2-(4-Fluorophenyl)ethanol
  • 4-Fluorophenethyl alcohol
  • 2-(4-Fluorophenyl)ethyl alcohol
  • 2-(4-Fluorophenyl)ethan-1-ol

Work with 4-Fluorobenzeneethanol

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

1,1′-Methylenebis[4-fluorobenzene]457-68-162 % similar 4-Fluorobenzyl alcohol459-56-361 % similar Tyrosol501-94-054 % similar Phenethyl alcohol60-12-852 % similar 2-(4-Aminophenyl)ethanol104-10-952 % similar 4-Fluorophenethylamine1583-88-652 % similar 4-Chlorobenzeneethanol1875-88-352 % similar 1-(2-Chloroethyl)-4-fluorobenzene332-43-452 % 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 1-Fluoro-4-methoxy-2-methylbenzene2338-54-7 4-Fluoro-1-methoxy-2-methylbenzene399-54-2 3-Fluoro-α-methylbenzenemethanol402-63-1 1-(4-Fluorophenyl)ethanol403-41-8 2-Fluoro-α-methylbenzenemethanol445-26-1 1-Ethoxy-2-fluorobenzene451-80-9

Elsewhere

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