chempirical

4-Methylsalicylic acid

C8H8O3CAS 50-85-1152.15 g/mol

Open in Covalent MOL file
OOHOH
Carboxylic acidPhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Melting point
177 °C
logP
1.40Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
50-85-1
SMILES
Cc1ccc(C(=O)O)c(O)c1
InChIKey
NJESAXZANHETJV-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

12 names
  • Benzoic acid, 2-hydroxy-4-methyl-
  • 2,4-Cresotic acid
  • 2-Hydroxy-4-methylbenzoic acid
  • γ-Cresotic acid
  • m-Cresotic acid
  • m-Homosalicylic acid
  • 2-Hydroxy-p-toluic acid
  • m-Cresotinic acid
  • 4-Methyl-2-hydroxybenzoic acid
  • p-Methylsalicylic acid
  • NSC 16634
  • 4-Methyl-2-hydroxybenzenecarboxylic acid

Work with 4-Methylsalicylic acid

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

5-Methylsalicylic acid89-56-574 % similar 4-Methylphthalic acid4316-23-870 % similar 2,4-Dimethylbenzoic acid611-01-866 % similar 2-Amino-4-methylbenzoic acid2305-36-464 % similar 2-Hydroxy-4-methylbenzamide49667-22-364 % similar 4-Aminosalicylic acid65-49-664 % similar 2′-Hydroxy-4′-methylacetophenone6921-64-864 % similar 2-Bromo-4-methylbenzoic acid7697-27-062 % similar

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

Same formula

P-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 Ortho-vanillin148-53-8

Elsewhere

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