chempirical

3,4-Xylenol

C8H10OCAS 95-65-8122.17 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
0.983 g/mL (at 20 °C)
Melting point
62.5 °C
Boiling point
225 °C
logP
2.01Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
95-65-8
SMILES
Cc1ccc(O)cc1C
InChIKey
YCOXTKKNXUZSKD-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/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
  • Phenol, 3,4-dimethyl-
  • 3,4-Dimethylphenol
  • 4,5-Dimethylphenol
  • 4-Hydroxy-1,2-dimethylbenzene
  • 1,3,4-Xylenol
  • 1-Hydroxy-3,4-dimethylbenzene
  • NSC 1549
  • 3,4-DMP

Work with 3,4-Xylenol

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

4-Methylresorcinol496-73-165 % similar Methylhydroquinone95-71-665 % similar 4-Bromo-3-methylphenol14472-14-160 % similar 4-Amino-3-methylphenol2835-99-660 % similar 3-Amino-4-methylphenol2836-00-260 % similar 4-Fluoro-3-methylphenol452-70-060 % similar 3-Fluoro-4-methylphenol452-78-860 % similar P-Chlorocresol59-50-760 % 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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