chempirical

4-Methyl-3-nitrobenzenemethanol

C8H9NO3CAS 40870-59-5167.16 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
40870-59-5
SMILES
Cc1ccc(CO)cc1[N+](=O)[O-]
InChIKey
URCWIFSXDARYLY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(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

6 names
  • Benzenemethanol, 4-methyl-3-nitro-
  • Benzyl alcohol, 4-methyl-3-nitro-
  • 3-Nitro-4-methylbenzyl alcohol
  • 4-Methyl-3-nitrobenzyl alcohol
  • (4-Methyl-3-nitro-phenyl)-methanol
  • (4-Methyl-3-nitrophenyl)methanol

Work with 4-Methyl-3-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

3-Methyl-4-nitrobenzenemethanol80866-75-782 % similar 4-(Chloromethyl)-1-methyl-2-nitrobenzene84540-59-068 % similar 4-Chloro-3-nitrobenzenemethanol55912-20-463 % similar 4-Methyl-3-nitrophenol2042-14-059 % similar 2,4-Dinitrotoluene121-14-258 % similar 1,4-Dimethyl-2-nitrobenzene89-58-758 % similar 4-Iodo-2-nitrotoluene41252-97-557 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-657 % 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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