chempirical

3-Hydroxy-4-methylbenzoic acid

C8H8O3CAS 586-30-1152.15 g/mol

Open in Covalent MOL file
OOHHO
Carboxylic acidPhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Melting point
205–207 °C
logP
1.40Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
586-30-1
SMILES
Cc1ccc(C(=O)O)cc1O
InChIKey
ZQLCWPXBHUALQC-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 3-hydroxy-4-methyl-
  • 3,4-Cresotic acid
  • 3-Hydroxy-p-toluic acid
  • 4-Methyl-3-hydroxybenzoic acid
  • NSC 67717
  • NSC 75850

Work with 3-Hydroxy-4-methylbenzoic 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-Hydroxy-3-methylbenzoic acid499-76-374 % similar 3,4-Dimethylbenzoic acid619-04-570 % similar Protocatechuic acid99-50-367 % similar 3-Hydroxy-4-iodobenzoic acid58123-77-664 % similar 3-Iodo-4-methylbenzoic acid82998-57-064 % similar 3-Amino-4-methylbenzoic acid2458-12-062 % similar 3-Fluoro-4-methylbenzoic acid350-28-762 % similar 3-Chloro-4-methylbenzoic acid5162-82-362 % 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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