1-(2-Nitrophenoxy)octane

C14H21NO3CAS 37682-29-4251.33 g/mol

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ON+OO−
EtherNitro

Properties

Molecular formula
C14H21NO3
Molar mass
251.33 g/mol
Exact mass
251.1521 Da
logP
4.33Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
37682-29-4
SMILES
CCCCCCCCOc1ccccc1[N+](=O)[O-]
InChIKey
CXVOIIMJZFREMM-UHFFFAOYSA-N
InChI
InChI=1S/C14H21NO3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3

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Names and synonyms

8 names
  • Benzene, 1-nitro-2-(octyloxy)-
  • 1-Nitro-2-(octyloxy)benzene
  • 2-Nitrophenyl octyl ether
  • o-Nitrophenyl octyl ether
  • o-Nitrophenyl n-octyl ether
  • o-NPOE
  • 2-Nitrophenyl n-octyl ether
  • 1-Nitro-2-octoxybenzene

Work with 1-(2-Nitrophenoxy)octane

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

1-Butoxy-2-nitrobenzene7252-51-989 % similar 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-969 % similar 1-Ethoxy-2-nitrobenzene610-67-368 % similar Dinocap39300-45-354 % similar O-Nitroanisole91-23-653 % similar 2-Nitrophenoxyacetic acid1878-87-150 % similar 1-Butoxy-4-nitrobenzene7244-78-250 % similar Dodecyl 4-chloro-3-nitrobenzoate124809-77-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-7 N-Boc-DL-phenylalaninol145149-48-0 tert-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-0 2,6-Di-tert-butyl-4-nitrophenol728-40-5

Elsewhere

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