4-[(2-nitrophenyl)diazenyl]phenol

C12H9N3O3 — CID 564717

IUPAC4-[(2-nitrophenyl)diazenyl]phenol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1ccc(O)cc1
InChIInChI=1S/C12H9N3O3/c16-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)15(17)18/h1-8,16H/b14-13+
InChIKeyIBDIGFWTFKXXAG-BUHFOSPRSA-N
MW243.22 g/mol
LogP3.72
Rot. Bonds3

About 4-[(2-nitrophenyl)diazenyl]phenol

4-[(2-nitrophenyl)diazenyl]phenol (PubChem CID 564717) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-[(2-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(2-nitrophenyl)diazenyl]phenol
PubChem CID564717
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name4-[(2-nitrophenyl)diazenyl]phenol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1ccc(O)cc1
InChIInChI=1S/C12H9N3O3/c16-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)15(17)18/h1-8,16H/b14-13+
InChIKeyIBDIGFWTFKXXAG-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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Related Compounds

4-Nitrophenol
CID 980
4-Hydroxyazobenzene
CID 15529
4-Nitrosophenol
CID 7729
3,4-Dinitrophenol
CID 11348
HC Orange No. 1
CID 3846708
4-Amino-3-Nitrophenol
CID 3758882
2-Fluoro-4-nitrophenol
CID 9825
3-Fluoro-4-nitrophenol
CID 520948
4-Hydroxy-4'-nitroazobenzene
CID 15035
4-(2,4-Dinitrophenylazo)phenol
CID 81192
4,4'-Dihydroxyazobenzene
CID 101245
2-Iodo-4-nitrophenol
CID 284949

Frequently Asked Questions

What is the IUPAC name of 4-[(2-nitrophenyl)diazenyl]phenol?
The IUPAC name of 4-[(2-nitrophenyl)diazenyl]phenol (CID 564717) is 4-[(2-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 4-[(2-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 4-[(2-nitrophenyl)diazenyl]phenol is O=[N+]([O-])c1ccccc1/N=N/c1ccc(O)cc1.
What is the InChIKey of 4-[(2-nitrophenyl)diazenyl]phenol?
The InChIKey is IBDIGFWTFKXXAG-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)15(17)18/h1-8,16H/b14-13+.
What are the key properties of 4-[(2-nitrophenyl)diazenyl]phenol?
4-[(2-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-[(2-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 564717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).