4-[(4-nitrophenyl)diazenyl]phenol

C12H9N3O3 — CID 15035

IUPAC4-[(4-nitrophenyl)diazenyl]phenol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C12H9N3O3/c16-12-7-3-10(4-8-12)14-13-9-1-5-11(6-2-9)15(17)18/h1-8,16H/b14-13+
InChIKeyNRJPVIOTANUINF-BUHFOSPRSA-N
MW243.22 g/mol
LogP3.72
Rot. Bonds3

About 4-[(4-nitrophenyl)diazenyl]phenol

4-[(4-nitrophenyl)diazenyl]phenol (PubChem CID 15035) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(4-nitrophenyl)diazenyl]phenol
PubChem CID15035
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name4-[(4-nitrophenyl)diazenyl]phenol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C12H9N3O3/c16-12-7-3-10(4-8-12)14-13-9-1-5-11(6-2-9)15(17)18/h1-8,16H/b14-13+
InChIKeyNRJPVIOTANUINF-BUHFOSPRSA-N
XLogP3.72
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)diazenyl]phenol?
The IUPAC name of 4-[(4-nitrophenyl)diazenyl]phenol (CID 15035) is 4-[(4-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 4-[(4-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 4-[(4-nitrophenyl)diazenyl]phenol is O=[N+]([O-])c1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)diazenyl]phenol?
The InChIKey is NRJPVIOTANUINF-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-12-7-3-10(4-8-12)14-13-9-1-5-11(6-2-9)15(17)18/h1-8,16H/b14-13+.
What are the key properties of 4-[(4-nitrophenyl)diazenyl]phenol?
4-[(4-nitrophenyl)diazenyl]phenol has a molecular weight of 243.22 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 15035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).