chempirical

3-Methylsalicylaldehyde

C8H8O2CAS 824-42-0136.15 g/mol

Open in Covalent MOL file
OHO
AldehydePhenol

Properties

Molecular formula
C8H8O2
Molar mass
136.15 g/mol
Exact mass
136.0524 Da
Melting point
17 °C
Boiling point
55–57 °C (at 1 Torr)
logP
1.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
824-42-0
SMILES
Cc1cccc(C=O)c1O
InChIKey
IPPQNXSAJZOTJZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3

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Names and synonyms

6 names
  • Benzaldehyde, 2-hydroxy-3-methyl-
  • 2,3-Cresotaldehyde
  • 2-Hydroxy-3-methylbenzaldehyde
  • o-Homosalicylaldehyde
  • 2-Hydroxy-m-tolualdehyde
  • 3-Methyl-2-hydroxybenzaldehyde

Work with 3-Methylsalicylaldehyde

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

2,3-Dihydroxybenzaldehyde24677-78-960 % similar 2,3-Dimethylbenzaldehyde5779-93-160 % similar Poly(P-phenylene oxide)25134-01-458 % similar 2,6-Xylenol576-26-158 % similar Ortho-vanillin148-53-856 % similar 5-Chloro-2-hydroxy-3-methylbenzaldehyde23602-63-356 % similar 2,6-Dimethylbenzaldehyde1123-56-452 % similar 3-Ethoxysalicylaldehyde492-88-651 % similar

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

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 2'-Hydroxyacetophenone104809-67-8 O-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5

Elsewhere

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