chempirical

4-Ethyl-1,2-benzenediol

C8H10O2CAS 1124-39-6138.17 g/mol

Open in Covalent MOL file
OHOH
Phenol

Properties

Molecular formula
C8H10O2
Molar mass
138.17 g/mol
Exact mass
138.0681 Da
Melting point
41–42 °C
Boiling point
130–132 °C (at 9 Torr)
logP
1.66Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1124-39-6
SMILES
CCc1ccc(O)c(O)c1
InChIKey
HFLGBNBLMBSXEM-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3

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Names and synonyms

10 names
  • 1,2-Benzenediol, 4-ethyl-
  • Pyrocatechol, 4-ethyl-
  • 4-Ethylcatechol
  • 4-Ethylpyrocatechol
  • 1-Ethyl-3,4-dihydroxybenzene
  • Ethylcatechol
  • Ethylpyrocatechol
  • 1-Ethyl-3,4-benzenediol
  • 4-Ethyl-1,2-dihydroxybenzene
  • 4-Ethyl-2-hydroxyphenol

Work with 4-Ethyl-1,2-benzenediol

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-Ethylguaiacol2785-89-960 % similar 2-tert-Butyl-4-ethylphenol96-70-860 % similar 3,4-Dihydroxybenzyl alcohol3897-89-058 % similar Nordihydroguaiaretic acid500-38-955 % similar Hydroxytyrosol10597-60-154 % similar Dopamine51-61-652 % similar 1,4-Diethylbenzene105-05-550 % similar Hydroxychavicol1126-61-050 % similar

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

Same formula

Anisyl alcohol105-13-5 1-(5-Methyl-2-furanyl)-1-propanone10599-69-6 3-Acetyl-2,5-dimethylfuran10599-70-9 2-Methoxy-5-methylphenol1195-09-1 5-Norbornene-2-carboxylic acid120-74-1 Phenoxyethanol122-99-6 3-Hydroxybenzeneethanol13398-94-2 1,4-Dimethoxybenzene150-78-7

Elsewhere

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