2-(4-nitroanilino)phenol

C12H10N2O3 — CID 14224817

IUPAC2-(4-nitroanilino)phenol
SMILESO=[N+]([O-])c1ccc(Nc2ccccc2O)cc1
InChIInChI=1S/C12H10N2O3/c15-12-4-2-1-3-11(12)13-9-5-7-10(8-6-9)14(16)17/h1-8,13,15H
InChIKeyPKSRFMRBEMCQHM-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-nitroanilino)phenol

2-(4-nitroanilino)phenol (PubChem CID 14224817) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(4-nitroanilino)phenol.

Molecular Properties

Compound Name2-(4-nitroanilino)phenol
PubChem CID14224817
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(4-nitroanilino)phenol
SMILESO=[N+]([O-])c1ccc(Nc2ccccc2O)cc1
InChIInChI=1S/C12H10N2O3/c15-12-4-2-1-3-11(12)13-9-5-7-10(8-6-9)14(16)17/h1-8,13,15H
InChIKeyPKSRFMRBEMCQHM-UHFFFAOYSA-N
XLogP3.04
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-nitrophenyl)benzene-1,2-diamine
CID 13095074
N-(4-nitrophenyl)-2-nitrosoaniline
CID 14968784
4-(4-nitroanilino)benzene-1,2-diol
CID 154216315
2-ethoxy-N-(4-nitrophenyl)aniline
CID 4763832
1-(4-nitroanilino)anthracene-9,10-dione
CID 631257
2-[4-(4-hydroxyanilino)anilino]phenol
CID 139796007
2-(2,3-dinitroanilino)phenol
CID 174683921
2-methyl-3-(4-nitroanilino)benzoic acid
CID 4763865
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196
1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea
CID 64793841

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitroanilino)phenol?
The IUPAC name of 2-(4-nitroanilino)phenol (CID 14224817) is 2-(4-nitroanilino)phenol.
What is the SMILES notation for 2-(4-nitroanilino)phenol?
The canonical SMILES for 2-(4-nitroanilino)phenol is O=[N+]([O-])c1ccc(Nc2ccccc2O)cc1.
What is the InChIKey of 2-(4-nitroanilino)phenol?
The InChIKey is PKSRFMRBEMCQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12-4-2-1-3-11(12)13-9-5-7-10(8-6-9)14(16)17/h1-8,13,15H.
What are the key properties of 2-(4-nitroanilino)phenol?
2-(4-nitroanilino)phenol has a molecular weight of 230.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitroanilino)phenol is sourced from PubChem (CID 14224817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).