chempirical

3-Methyl-4-nitrobenzenemethanol

C8H9NO3CAS 80866-75-7167.16 g/mol

Open in Covalent MOL file
OHN+OO−
AlcoholNitro

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
logP
1.40Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
80866-75-7
SMILES
Cc1cc(CO)ccc1[N+](=O)[O-]
InChIKey
KOVQGYQQVNCUBR-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,10H,5H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzenemethanol, 3-methyl-4-nitro-
  • 3-Methyl-4-nitrobenzyl alcohol
  • (3-Methyl-4-nitrophenyl)methanol

Work with 3-Methyl-4-nitrobenzenemethanol

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-Methyl-3-nitrobenzenemethanol40870-59-582 % similar 3-Methyl-4-nitrophenol2581-34-259 % similar 4-Chloro-3-nitrobenzenemethanol55912-20-459 % similar 2-Nitrotoluene88-72-259 % similar 4-Nitro-M-xylene89-87-258 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-355 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-255 % similar 3-Methyl-4-nitroaniline611-05-255 % 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

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