chempirical

2,3,5-Trimethylphenol

C9H12OCAS 697-82-5136.19 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Melting point
93.5 °C
Boiling point
230.5 °C
logP
2.32Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
697-82-5
SMILES
Cc1cc(C)c(C)c(O)c1
InChIKey
OGRAOKJKVGDSFR-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Phenol, 2,3,5-trimethyl-
  • Isopseudocumenol
  • 1-Hydroxy-2,3,5-trimethylbenzene
  • 6-Hydroxypseudocumene
  • NSC 5296
  • 3,5,6-Trimethylphenol

Work with 2,3,5-Trimethylphenol

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

2,5-Dimethylresorcin488-87-973 % similar Mesitol527-60-652 % similar 2,4-Dimethylphenol105-67-952 % similar 2,5-Dimethylphenol95-87-452 % similar Trimethylhydroquinone700-13-050 % similar 1-Methoxy-2,3,5-trimethylbenzene20469-61-847 % similar Dimethylphenol1300-71-646 % similar 2,3-Dimethylphenol526-75-046 % similar

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

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Phenyl-2-propanol14898-87-4 1-Ethyl-4-methoxybenzene1515-95-3 (S)-1-Phenyl-2-propanol1517-68-6 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

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