chempirical

5-Methylsalicylic acid

C8H8O3CAS 89-56-5152.15 g/mol

Open in Covalent MOL file
OHOOH
Carboxylic acidPhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Density
1.31 g/mL
Melting point
151 °C
logP
1.40Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
89-56-5
SMILES
Cc1ccc(O)c(C(=O)O)c1
InChIKey
DLGBEGBHXSAQOC-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

11 names
  • Benzoic acid, 2-hydroxy-5-methyl-
  • 2,5-Cresotic acid
  • 2-Hydroxy-5-methylbenzoic acid
  • p-Cresotic acid
  • p-Cresotinic acid
  • α-Cresotinic acid
  • p-Homosalicylic acid
  • 6-Hydroxy-3-methylbenzoic acid
  • 6-Hydroxy-m-toluic acid
  • 5-Methyl-2-hydroxybenzoic acid
  • NSC 38518

Work with 5-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

4-Methylsalicylic acid50-85-174 % similar 4-Methylphthalic acid4316-23-870 % similar 2,5-Dimethylbenzoic acid610-72-066 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-264 % similar Gentisic acid490-79-963 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 2-Amino-5-methylbenzoic acid2941-78-862 % similar 2-Iodo-5-methylbenzoic acid52548-14-862 % 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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