chempirical

2,6-Dimethyl-4-nitrophenol

C8H9NO3CAS 2423-71-4167.16 g/mol

Open in Covalent MOL file
N+OO−HO
NitroPhenol

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
168 °C (decomposes)
logP
1.92Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2423-71-4
SMILES
Cc1cc([N+](=O)[O-])cc(C)c1O
InChIKey
FNORUNUDZNWQFF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 2,6-Xylenol, 4-nitro-
  • Phenol, 2,6-dimethyl-4-nitro-
  • 4-Nitro-2,6-dimethylphenol
  • 4-Nitro-2,6-xylenol
  • NSC 2990

Work with 2,6-Dimethyl-4-nitrophenol

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-Methyl-4,6-dinitrophenol534-52-180 % similar Dnoc-ammonium2980-64-573 % similar 2-Methyl-4-nitrophenol99-53-663 % similar 2,6-Diiodo-4-nitrophenol305-85-161 % similar Picric acid88-89-160 % similar 4-Nitro-O-xylene99-51-458 % similar 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-857 % similar 2,6-Dichloro-4-nitrophenol618-80-456 % similar

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

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook