chempirical

5-Fluoro-2-methylphenol

C7H7FOCAS 452-85-7126.13 g/mol

Open in Covalent MOL file
FHO
Aryl halidePhenol

Properties

Molecular formula
C7H7FO
Molar mass
126.13 g/mol
Exact mass
126.0481 Da
Boiling point
66 °C (at 4 Torr)
logP
1.84Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
452-85-7
SMILES
Cc1ccc(F)cc1O
InChIKey
CKJOSIHYVLHIER-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Phenol, 5-fluoro-2-methyl-
  • o-Cresol, 5-fluoro-
  • 2-Methyl-5-fluorophenol

Work with 5-Fluoro-2-methylphenol

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

4-Fluoro-1,2-benzenediol367-32-860 % similar 4-Fluoro-1,2-dimethylbenzene452-64-260 % similar 2,5-Difluorophenol2713-31-756 % similar 2,4-Difluoro-1-methylbenzene452-76-656 % similar 4-Methylresorcinol496-73-156 % similar 2,5-Dimethylphenol95-87-456 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-754 % similar 2-Chloro-5-fluorophenol3827-49-454 % similar

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

Same formula

3-Fluoro-5-methylphenol216976-31-7 2-Fluoroanisole321-28-8 3-Fluoro-2-methylphenol443-87-8 2-Fluorobenzyl alcohol446-51-5 4-Fluoro-3-methylphenol452-70-0 4-Fluoro-2-methylphenol452-72-2 3-Fluoro-4-methylphenol452-78-8 2-Fluoro-4-methylphenol452-81-3

Elsewhere

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