chempirical

4-Fluoro-3-methylphenol

C7H7FOCAS 452-70-0126.13 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
Boiling point
98–99 °C (at 12 Torr)
logP
1.84Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
452-70-0
SMILES
Cc1cc(O)ccc1F
InChIKey
RVYGYYVGWSCWGY-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Phenol, 4-fluoro-3-methyl-
  • m-Cresol, 4-fluoro-
  • 4-Fluoro-m-cresol
  • 3-Methyl-4-fluorophenol
  • 2-Fluoro-5-hydroxytoluene

Work with 4-Fluoro-3-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

3,4-Difluorophenol2713-33-960 % similar 3,4-Xylenol95-65-860 % similar 4-Bromo-1-fluoro-2-methylbenzene51437-00-457 % similar 4-Fluoro-1,3-dihydroxybenzene103068-41-356 % similar 1,4-Difluoro-2-methylbenzene452-67-556 % similar Methylhydroquinone95-71-656 % similar 1-Fluoro-4-iodo-2-methylbenzene452-68-654 % similar 4-Bromo-3-methylphenol14472-14-152 % 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-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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