1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol

C16H11N3O3 — CID 22917

IUPAC1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H/b18-17+
InChIKeyWOTPFVNWMLFMFW-ISLYRVAYSA-N
MW293.28 g/mol
LogP4.87
Rot. Bonds3

About 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol

1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 22917) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID22917
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H/b18-17+
InChIKeyWOTPFVNWMLFMFW-ISLYRVAYSA-N
XLogP4.87
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.87
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'}

Analyze 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Phenylazo)-2-naphthol
CID 13297
1-(p-Phenylazophenylazo)-2-naphthol (Sudan III)
CID 62331
Orange OT
CID 17550
Toluidine Red
CID 17047
1-Nitroso-2-naphthol
CID 8580
1-Naphthalenol, 4-[2-(4-nitrophenyl)diazenyl]-
CID 79174
1-((2-Chloro-4-nitrophenyl)azo)-2-naphthol
CID 17778
Fast Orange
CID 18981
Sudan R
CID 14678
6-Hydroxy-1-nitropyrene
CID 104988
8-Hydroxy-1-nitropyrene
CID 105022
1-Nitro-2-naphthol
CID 11075

Frequently Asked Questions

What is the IUPAC name of 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol (CID 22917) is 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is WOTPFVNWMLFMFW-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H/b18-17+.
What are the key properties of 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 293.28 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 22917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).