3-(4-Nitrophenyl)-2-propen-1-ol

C9H9NO3CAS 1504-63-8179.17 g/mol

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ON+O−OH
AlcoholAlkeneNitro

Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
Melting point
127.5–128 °C
logP
1.60Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

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
1504-63-8
SMILES
O=[N+]([O-])c1ccc(C=CCO)cc1
InChIKey
LGXXEDSIJZHDBN-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2

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Names and synonyms

7 names
  • 2-Propen-1-ol, 3-(4-nitrophenyl)-
  • 2-Propen-1-ol, 3-(p-nitrophenyl)-
  • 4-Nitrocinnamyl alcohol
  • 3-(4-Nitrophenyl)-2-propenol
  • p-Nitrocinnamyl alcohol
  • 3-(4-Nitrophenyl)prop-2-en-1-ol
  • 1-Hydroxy-3-(4-nitrophenyl)-2-propene

Work with 3-(4-Nitrophenyl)-2-propen-1-ol

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

4,4'-Dinitrostilbene2501-02-267 % similar 4-Nitrocinnamaldehyde1734-79-860 % similar 4-Nitrocinnamaldehyde49678-08-260 % similar 4-Nitrocinnamic acid619-89-658 % similar trans-4-Nitrocinnamic acid882-06-458 % similar 4-Nitrobenzaldehyde555-16-853 % similar 1,4-Dinitrobenzene100-25-452 % similar 4-Nitrostyrene100-13-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 Methyl 2-acetylpyridine-4-carboxylate138715-82-9 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3′-Nitropropiophenone17408-16-1 3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-3-(2-nitrovinyl)benzene3179-09-7 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0

Elsewhere

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