chempirical

3-Methyl-4-nitroanisole

C8H9NO3CAS 5367-32-8167.16 g/mol

Open in Covalent MOL file
ON+OO−
EtherNitro

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
55 °C
Boiling point
16–20 °C (at 4 Torr)
logP
1.91Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
5367-32-8
SMILES
COc1ccc([N+](=O)[O-])c(C)c1
InChIKey
RTZOGYCMIMOVHU-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3

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Names and synonyms

8 names
  • Benzene, 4-methoxy-2-methyl-1-nitro-
  • Anisole, 3-methyl-4-nitro-
  • 4-Methoxy-2-methyl-1-nitrobenzene
  • 5-Methoxy-2-nitrotoluene
  • 3-Methyl-4-nitrophenol methyl ether
  • 2-Nitro-5-methoxytoluene
  • 2-Methyl-4-methoxynitrobenzene
  • NSC 37985

Work with 3-Methyl-4-nitroanisole

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

5-Methoxy-2-nitrobenzenamine16133-49-669 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-769 % similar 5-Methoxy-2-nitrophenol704-14-365 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-464 % similar 4-Methoxy-2-nitroaniline96-96-862 % similar Fenitrothion122-14-562 % similar 1-Chloro-4-methoxy-2-nitrobenzene10298-80-361 % similar 1-Bromo-4-methoxy-2-nitrobenzene5344-78-561 % 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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