chempirical

Trimethylhydroquinone

C9H12O2CAS 700-13-0152.19 g/mol

Open in Covalent MOL file
OHHO
Phenol

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Melting point
170–171 °C
logP
2.02Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
700-13-0
SMILES
Cc1cc(O)c(C)c(C)c1O
InChIKey
AUFZRCJENRSRLY-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • 1,4-Benzenediol, 2,3,5-trimethyl-
  • Hydroquinone, trimethyl-
  • 2,3,5-Trimethyl-1,4-benzenediol
  • ψ-Cumohydroquinone
  • Pseudocumohydroquinone
  • Trimethyl-p-hydroquinone
  • 2,3,5-Trimethylhydroquinone
  • 1,4-Dihydroxy-2,3,5-trimethylbenzene
  • 2,3,5-Trimethyl-1,4-hydroquinone
  • 2,3,5-Trimethyl-p-hydroquinone
  • NSC 401617

Work with Trimethylhydroquinone

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

2,5-Dimethylhydroquinone615-90-752 % similar 2,3,6-Trimethylphenol2416-94-650 % similar 2,3,5-Trimethylphenol697-82-550 % similar 2,3-Dimethoxy-5-methyl-1,4-benzenediol3066-90-848 % similar 3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diol2417-04-148 % similar 2,4-Dichloro-3,5-dimethylphenol133-53-947 % similar 2,5-Dimethylresorcin488-87-946 % similar Mesitol527-60-646 % similar

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

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 4-Propoxyphenol18979-50-5 4-Propylresorcinol18979-60-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook