chempirical

3-Fluoro-5-methylphenol

C7H7FOCAS 216976-31-7126.13 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
logP
1.84Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
216976-31-7
SMILES
Cc1cc(O)cc(F)c1
InChIKey
AYMBVFCWNCCREA-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,1H3

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Names and synonyms

1 names
  • Phenol, 3-fluoro-5-methyl-

Work with 3-Fluoro-5-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

3,5-Difluorotoluene117358-51-767 % similar 3,5-Difluorophenol2713-34-067 % similar Orcinol504-15-467 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-652 % similar 3-Chloro-5-fluorophenol202982-70-552 % similar 3-Isopropyl-5-methylphenol3228-03-348 % similar B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-748 % similar 3-Fluoro-5-methylbenzoic acid518070-19-447 % similar

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

Same formula

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 5-Fluoro-2-methylphenol452-85-7

Elsewhere

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