chempirical

3-Fluoro-2-methylphenol

C7H7FOCAS 443-87-8126.13 g/mol

Open in Covalent MOL file
OHF
Aryl halidePhenol

Properties

Molecular formula
C7H7FO
Molar mass
126.13 g/mol
Exact mass
126.0481 Da
Melting point
56.5 °C
Boiling point
186–188 °C (at 748 Torr)
logP
1.84Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
443-87-8
SMILES
Cc1c(O)cccc1F
InChIKey
OMGVVVBQKWNRQA-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3

Weigh it out

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Names and synonyms

3 names
  • Phenol, 3-fluoro-2-methyl-
  • o-Cresol, 3-fluoro-
  • NSC 190309

Work with 3-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

1,3-Difluoro-2-methylbenzene443-84-565 % similar 2-Methylresorcinol608-25-365 % similar 2-Fluorophenol367-12-456 % similar Dimethylphenol1300-71-656 % similar 3-Fluoro-1,2-benzenediol363-52-056 % similar 3-Fluoro-O-xylene443-82-356 % similar 2,3-Dimethylphenol526-75-056 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-454 % 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 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 5-Fluoro-2-methylphenol452-85-7

Elsewhere

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