chempirical

4-Hydroxy-3,5-dimethylbenzoic acid

C9H10O3CAS 4919-37-3166.18 g/mol

Open in Covalent MOL file
OOHHO
Carboxylic acidPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
221–224.5 °C
logP
1.71Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
4919-37-3
SMILES
Cc1cc(C(=O)O)cc(C)c1O
InChIKey
OMNHTTWQSSUZHO-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3,(H,11,12)

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

Names and synonyms

4 names
  • Benzoic acid, 4-hydroxy-3,5-dimethyl-
  • 3,5-Dimethyl-4-hydroxybenzoic acid
  • 2,6-Dimethyl-4-carboxyphenol
  • NSC 68319

Work with 4-Hydroxy-3,5-dimethylbenzoic 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

3,5-Diiodo-4-hydroxybenzoic acid618-76-860 % similar 3,4-Dimethylbenzoic acid619-04-560 % similar 4-Methoxy-3,5-dimethylbenzoic acid21553-46-859 % similar 4-Hydroxy-3-methylbenzoic acid499-76-359 % similar Gallic acid149-91-759 % similar Trimesic acid554-95-056 % similar 3,5-Dimethylbenzoic acid499-06-955 % similar Uvitic acid499-49-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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