1-[3-Nitro-4-(phenylmethoxy)phenyl]ethanone

C15H13NO4CAS 14347-05-8271.27 g/mol

Open in Covalent MOL file
OON+OO−
EtherKetoneNitro

Properties

Molecular formula
C15H13NO4
Molar mass
271.27 g/mol
Exact mass
271.0845 Da
Melting point
134–136 °C
logP
3.38Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number
14347-05-8
SMILES
CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1
InChIKey
OWKGFSOHSDMRJL-UHFFFAOYSA-N
InChI
InChI=1S/C15H13NO4/c1-11(17)13-7-8-15(14(9-13)16(18)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Ethanone, 1-[3-nitro-4-(phenylmethoxy)phenyl]-
  • Acetophenone, 4′-(benzyloxy)-3′-nitro-
  • 4′-Benzyloxy-3′-nitroacetophenone
  • 1-(4-Benzyloxy-3-nitrophenyl)ethanone
  • 1-Acetyl-4-benzyloxy-3-nitrobenzene
  • 1-[4-(Benzyloxy)-3-nitrophenyl]ethan-1-one
  • 1-(3-Nitro-4-phenylmethoxyphenyl)ethanone

Work with 1-[3-Nitro-4-(phenylmethoxy)phenyl]ethanone

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-(4-((4-Fluorobenzyl)oxy)-3-nitrophenyl)ethanone175136-24-078 % similar 2-Bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethanone43229-01-271 % similar 1-(4-Methoxy-3-nitrophenyl)ethanone6277-38-964 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-661 % similar 1-(4-Bromo-3-nitrophenyl)ethanone18640-58-954 % similar 3'-Nitro-4'-methylacetophenone5333-27-754 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-654 % similar 1-(2,5-Bis(benzyloxy)phenyl)ethanone21766-81-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-[3-Nitro-4-(phenylmethoxy)phenyl]oxirane51582-41-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook