5-Hydroxy-2-methylbenzoic acid

C₈H₈O₃CAS 578-22-3152.15 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
logP: 1.40Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

578-22-3

SMILES

CC1=C(C=C(C=C1)O)C(=O)O

InChIKey

ZIOYQUNKXJQXQY-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3,(H,10,11)

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Names and synonyms

1 names

5-Hydroxy-2-methyl-benzoic acid

Work with 5-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-Hydroxy-2-methylbenzoic acid578-39-274 % similar 4-Hydroxyphthalic acid610-35-567 % similar 5-Bromo-2-methylbenzoic acid79669-49-167 % similar 2,5-Dimethylbenzoic acid610-72-066 % similar 5-Iodo-2-methylbenzoic acid54811-38-064 % similar Gentisic acid490-79-963 % similar 2,5-Dimethylterephthalic acid6051-66-762 % similar 5-Amino-2-methylbenzoic acid2840-04-262 % 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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