chempirical

Hydroxyquinol

C6H6O3CAS 533-73-3126.11 g/mol

Open in Covalent MOL file
HOOHOH
Phenol

Properties

Molecular formula
C6H6O3
Molar mass
126.11 g/mol
Exact mass
126.0317 Da
Melting point
140.5 °C
Boiling point
165 °C (at 4 Torr)
logP
0.80Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
533-73-3
SMILES
Oc1ccc(O)c(O)c1
InChIKey
GGNQRNBDZQJCCN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,2,4-Benzenetriol
  • Hydroxyhydroquinone
  • 1,2,4-Trihydroxybenzene
  • 2,5-Dihydroxyphenol
  • 1,3,4-Trihydroxybenzene
  • 1,3,4-Benzenetriol
  • 2-Hydroxy-1,4-hydroquinone
  • 2-Hydroxy-p-benzohydroquinone
  • 4-Hydroxycatechol
  • HHQ
  • NSC 2818
  • 2-Hydroxyhydroquinone
  • 1,2,5-Benzenetriol

Work with Hydroxyquinol

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-Fluoro-1,3-dihydroxybenzene103068-41-357 % similar 4-Methylresorcinol496-73-157 % similar 2-Bromo-1,4-benzenediol583-69-757 % similar Chlorohydroquinone615-67-857 % similar Methylhydroquinone95-71-657 % similar 4-Chlororesorcinol95-88-557 % similar 4,4′-Thiobis[1,3-benzenediol]97-29-057 % similar 4-Bromocatechol17345-77-655 % similar

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

Same formula

Phloroglucinol108-73-6 Maltol118-71-8 Methyl furan-3-carboxylate13129-23-2 Acrylic anhydride2051-76-5 3-Methylfuran-2-carboxylic acid4412-96-8 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-8 Methyl 2-furoate611-13-2 Hydroxymethylfurfural67-47-0

Elsewhere

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