chempirical

2,5-Dimethylphenol

C8H10OCAS 95-87-4122.17 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C8H10O
Molar mass
122.17 g/mol
Exact mass
122.0732 Da
Density
0.965 g/mL (at 80 °C)
Melting point
74.5 °C
Boiling point
211.5 °C (at 762 Torr)
logP
2.01Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
95-87-4
SMILES
Cc1ccc(C)c(O)c1
InChIKey
NKTOLZVEWDHZMU-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • p-Xylenol
  • 1,2,5-Xylenol
  • 1-Hydroxy-2,5-dimethylbenzene
  • 3,6-Dimethylphenol
  • NSC 2599
  • 2-Hydroxy-p-xylene
  • Phenol, 2,5-dimethyl-
  • 2,5-Xylenol

Work with 2,5-Dimethylphenol

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-Methylcatechol452-86-865 % similar 5-Amino-2-methylphenol2835-95-262 % similar 4-Methylresorcinol496-73-160 % similar 1,2,4-Trimethylbenzene95-63-657 % similar 2-Iodo-4-methylphenol16188-57-156 % similar 2-Amino-5-methylphenol2835-98-556 % similar 5-Fluoro-2-methylphenol452-85-756 % similar 5-Chloro-2-methylphenol5306-98-956 % similar

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

Same formula

3-Methylanisole100-84-5 Ethyl phenyl ether103-73-1 4-Methylanisole104-93-8 2,4-Dimethylphenol105-67-9 3,5-Dimethylphenol108-68-9 4-Ethylphenol123-07-9 Dimethylphenol1300-71-6 1-Phenylethanol13323-81-4

Elsewhere

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