4-Hydroxy-2-methylbenzoic acid

C₈H₈O₃CAS 578-39-2152.15 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₈H₈O₃
Molar mass: 152.15 g/mol
Exact mass: 152.0473 Da
Melting point: 182 °C
logP: 1.40Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

578-39-2

SMILES

Cc1cc(O)ccc1C(=O)O

InChIKey

BBMFSGOFUHEVNP-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O3/c1-5-4-6(9)2-3-7(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.

Names and synonyms

5 names

Benzoic acid, 4-hydroxy-2-methyl-
4,2-Cresotic acid
4-Hydroxy-o-toluic acid
2-Methyl-4-hydroxybenzoic acid
NSC 85496

Work with 4-Hydroxy-2-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-Hydroxyphthalic acid610-35-567 % similar 4-Bromo-2-methylbenzoic acid68837-59-267 % similar 2,4-Dimethylbenzoic acid611-01-866 % similar 4′-Hydroxy-2′-methylacetophenone875-59-264 % similar 2,4-Dihydroxybenzoic acid89-86-163 % similar 4-Amino-2-methylbenzoic acid2486-75-162 % similar 4-Chloro-2-methylbenzoic acid7499-07-262 % similar 2-Chloro-4-hydroxybenzoic acid56363-84-959 % 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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