chempirical

4-Phenyl-2-nitrophenol

C12H9NO3CAS 885-82-5215.21 g/mol

Open in Covalent MOL file
ON+O−HO
NitroPhenol

Properties

Molecular formula
C12H9NO3
Molar mass
215.21 g/mol
Exact mass
215.0582 Da
Melting point
66 °C
logP
2.97Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
885-82-5
SMILES
O=[N+]([O-])c1cc(-c2ccccc2)ccc1O
InChIKey
JDDNJJBXFOLPKX-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H

Weigh it out

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

Names and synonyms

10 names
  • [1,1′-Biphenyl]-4-ol, 3-nitro-
  • 4-Biphenylol, 3-nitro-
  • Phenol, 2-nitro-4-phenyl-
  • 3-Nitro[1,1′-biphenyl]-4-ol
  • 2-Nitro-p-phenylphenol
  • 2-Nitro-4-phenylphenol
  • 3-Nitro-4-biphenylol
  • 4-Hydroxy-3-nitrobiphenyl
  • 3-Nitro-4-hydroxybiphenyl
  • NSC 95810

Work with 4-Phenyl-2-nitrophenol

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

Nitrophenol88-75-561 % similar 2,4-Dinitrophenol51-28-560 % similar 4-Fluoro-2-nitrophenol394-33-258 % similar 4-Methyl-2-nitrophenol119-33-557 % similar 4-Amino-2-nitrophenol119-34-657 % similar 4-Bromo-2-nitrophenol7693-52-957 % similar 4-Chloro-2-nitrophenol89-64-557 % similar 4-Cyano-2-nitrophenol3272-08-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(4-Acetylphenyl)maleimide1082-85-5 3-Cyano-7-ethoxycoumarin117620-77-6 2-Nitrodiphenyl ether2216-12-8 2-Phenoxynicotinic acid35620-71-4 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-7 Naphthalamic acid5811-88-1 1-Nitro-4-phenoxybenzene620-88-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook