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

C17H13N3O3 — CID 17047

IUPAC1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESCc1ccc(/N=N/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3/b19-18+
InChIKeyZLFVRXUOSPRRKQ-VHEBQXMUSA-N
MW307.31 g/mol
LogP5.18
Rot. Bonds3

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

1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 17047) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID17047
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESCc1ccc(/N=N/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3/b19-18+
InChIKeyZLFVRXUOSPRRKQ-VHEBQXMUSA-N
XLogP5.18
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.31
LogP ≤ 55.18
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

1-(Phenylazo)-2-naphthol
CID 13297
Orange OT
CID 17550
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 II
CID 18386
6-Hydroxy-1-nitropyrene
CID 104988
8-Hydroxy-1-nitropyrene
CID 105022
1-Nitro-2-naphthol
CID 11075
2-Nitro-1-naphthol
CID 69083
Solvent Red 4
CID 75859

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol (CID 17047) is 1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol is Cc1ccc(/N=N/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is ZLFVRXUOSPRRKQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3/b19-18+.
What are the key properties of 1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol?
1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 307.31 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 17047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).