chempirical

3-Methylcatechol

C7H8O2CAS 488-17-5124.14 g/mol

Open in Covalent MOL file
OHHO
Phenol

Properties

Molecular formula
C7H8O2
Molar mass
124.14 g/mol
Exact mass
124.0524 Da
Melting point
68 °C
Boiling point
241 °C
logP
1.41Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
488-17-5
SMILES
Cc1cccc(O)c1O
InChIKey
PGSWEKYNAOWQDF-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3

Weigh it out

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

Names and synonyms

11 names
  • 1,2-Benzenediol, 3-methyl-
  • Pyrocatechol, 3-methyl-
  • 3-Methyl-1,2-benzenediol
  • 3-Methylpyrocatechol
  • 3-Methyl-1,2-dihydroxybenzene
  • 2,3-Dihydroxytoluene
  • 1,2-Dihydroxy-3-methylbenzene
  • 2,3-Toluenediol
  • 2-Hydroxy-3-methylphenol
  • 2-Hydroxy-6-methylphenol
  • NSC 66523

Work with 3-Methylcatechol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Poly(P-phenylene oxide)25134-01-471 % similar 2,6-Xylenol576-26-171 % similar Pyrogallol87-66-162 % similar O-Cresol95-48-761 % similar Dimethylphenol1300-71-660 % similar 2,3-Dimethylphenol526-75-060 % similar 2-Bromo-6-methylphenol13319-71-658 % similar 2-Chloro-6-methylphenol87-64-958 % similar

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

Same formula

2,6-Dimethyl-γ-pyrone1004-36-0 2-Acetyl-5-methylfuran1193-79-9 3-Methoxyphenol150-19-6 4-Methoxyphenol150-76-5 5-Ethyl-2-furaldehyde23074-10-4 (3Ar,6as)-3,3A,6,6A-tetrahydro-2H-cyclopenta[B]furan-2-one43119-28-4 4-Methylcatechol452-86-8 2,5-Cyclohexadiene-1-carboxylic acid4794-04-1

Elsewhere

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