4-Hydroxy-3-methylbenzoic acid

C₈H₈O₃CAS 499-76-3152.15 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
Melting point: 172–174 °C
Boiling point: 112 °C (at 1 Torr)
logP: 1.40Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

499-76-3

SMILES

Cc1cc(C(=O)O)ccc1O

InChIKey

LTFHNKUKQYVHDX-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(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

3 names

Benzoic acid, 4-hydroxy-3-methyl-
4,3-Cresotic acid
3-Methyl-4-hydroxybenzoic acid

Work with 4-Hydroxy-3-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

3-Hydroxy-4-methylbenzoic acid586-30-174 % similar 3,4-Dimethylbenzoic acid619-04-570 % similar Protocatechuic acid99-50-367 % similar 4′-Hydroxy-3′-methylacetophenone876-02-864 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 4-Amino-3-methylbenzoic acid2486-70-662 % similar 4-Fluoro-3-methylbenzoic acid403-15-662 % similar 4-Bromo-3-methylbenzoic acid7697-28-162 % 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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