chempirical

3-Fluoro-alpha-methylbenzenemethanol

C8H9FOCAS 402-63-1140.16 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
1.1201 g/mL (at 20 °C)
Boiling point
120–121 °C (at 45 Torr)
logP
1.88Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
402-63-1
SMILES
CC(O)c1cccc(F)c1
InChIKey
YESOPGLEIJQAEF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

7 names
  • 3-Fluoro-α-methylbenzenemethanol
  • Benzenemethanol, 3-fluoro-α-methyl-
  • Benzyl alcohol, m-fluoro-α-methyl-
  • 1-(3-Fluorophenyl)ethanol
  • NSC 2996
  • (±)-1-(m-Fluorophenyl)ethanol
  • 1-(3-Fluorophenyl)ethan-1-ol

Work with 3-Fluoro-alpha-methylbenzenemethanol

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

(1R)-1-(3-Chlorophenyl)ethanol120121-01-960 % similar (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-560 % similar 3-Chloro-α-methylbenzenemethanol6939-95-360 % similar (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-858 % similar (+)-1-(3-Bromophenyl)ethanol134615-24-058 % similar 3-(1-Hydroxyethyl)aniline2454-37-758 % similar 1-(3-Bromophenyl)ethanol52780-14-058 % similar Alpha-methyl-3-(trifluoromethyl)benzyl alcohol454-91-158 % 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 1-(4-Fluorophenyl)ethanol403-41-8

Elsewhere

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