3-Fluoro-4-methylphenol

C₇H₇FOCAS 452-78-8126.13 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₇H₇FO
Molar mass: 126.13 g/mol
Exact mass: 126.0481 Da
Melting point: 72 °C
Boiling point: 194–196 °C
logP: 1.84Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

452-78-8

SMILES

Cc1ccc(O)cc1F

InChIKey

GJOOCAXPERKNMN-UHFFFAOYSA-N

InChI

InChI=1S/C7H7FO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

3 names

Phenol, 3-fluoro-4-methyl-
p-Cresol, 3-fluoro-
3-Fluoro-4-cresol

Work with 3-Fluoro-4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Difluorophenol2713-33-960 % similar 3,4-Xylenol95-65-860 % similar 4-Bromo-2-fluorotoluene51436-99-857 % similar 2,4-Difluoro-1-methylbenzene452-76-656 % similar 4-Methylresorcinol496-73-156 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-754 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 3-Amino-4-methylphenol2836-00-252 % 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 2-Fluoro-4-methylphenol452-81-3 5-Fluoro-2-methylphenol452-85-7

Elsewhere

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