2-(4-Nitrophenyl)ethanol
Properties
- Molecular formula
- C8H9NO3
- Molar mass
- 167.16 g/mol
- Exact mass
- 167.0582 Da
- Melting point
- 63 °C
- Boiling point
- 177 °C
- logP
- 1.13Crippen estimate
- Polar surface area
- 63.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Identifiers
CAS number
100-27-6SMILES
O=[N+]([O-])c1ccc(CCO)cc1InChIKey
IKMXRUOZUUKSON-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzeneethanol, 4-nitro-
- Phenethyl alcohol, p-nitro-
- 4-Nitrobenzeneethanol
- p-Nitrophenethyl alcohol
- 2-(p-Nitrophenyl)ethanol
- 4-Nitrophenethyl alcohol
- p-Nitrophenylethyl alcohol
- 4-Nitrophenethanol
- 1-(2-Hydroxyethyl)-4-nitrobenzene
- 2-(4-Nitrophenyl)-1-ethanol
- NSC 55519
- 2-(4-Nitrophenyl)ethyl alcohol
Work with 2-(4-Nitrophenyl)ethanol
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Nitrobenzyl alcohol619-73-869 % similar
4-Nitrophenethyl bromide5339-26-461 % similar
1,4-Dinitrobenzene100-25-460 % similar
2-[(4-Nitrophenyl)thio]ethanol13287-76-859 % similar
2-(4-Nitrophenoxy)ethanol16365-27-859 % similar
4-Nitrobenzyl bromide100-11-858 % similar
1-Ethyl-4-nitrobenzene100-12-958 % similar
4-Nitrobenzyl chloride100-14-158 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds