5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol

C16H18N4O4 — CID 135608350

IUPAC5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
SMILESCCN(CC)c1ccc(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)c1
InChIInChI=1S/C16H18N4O4/c1-3-19(4-2)11-5-7-13(16(22)10-11)17-18-14-9-12(20(23)24)6-8-15(14)21/h5-10,21-22H,3-4H2,1-2H3/b18-17+
InChIKeyMGTPWASODZUAAB-ISLYRVAYSA-N
MW330.34 g/mol
LogP4.27
Rot. Bonds6

About 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol

5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol (PubChem CID 135608350) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
PubChem CID135608350
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
SMILESCCN(CC)c1ccc(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)c1
InChIInChI=1S/C16H18N4O4/c1-3-19(4-2)11-5-7-13(16(22)10-11)17-18-14-9-12(20(23)24)6-8-15(14)21/h5-10,21-22H,3-4H2,1-2H3/b18-17+
InChIKeyMGTPWASODZUAAB-ISLYRVAYSA-N
XLogP4.27
TPSA111.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
CID 171731418
5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol
CID 163433155
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
2-[[4-(diethylamino)-2-methoxyphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile
CID 20605739
3-[3-hydroxy-4-[(4-nitrophenyl)diazenyl]-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid
CID 136882825
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
2-[4-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol
CID 101422074
2-(methylideneamino)-4-nitrophenol
CID 153394573
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
5-(diethylamino)-2-[2-(4-nitroanilino)ethyliminomethyl]phenol
CID 135710907
2-[N-(2-acetyloxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate;isocyanic acid
CID 159643523

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol (CID 135608350) is 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol is CCN(CC)c1ccc(/N=N/c2cc([N+](=O)[O-])ccc2O)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol?
The InChIKey is MGTPWASODZUAAB-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-3-19(4-2)11-5-7-13(16(22)10-11)17-18-14-9-12(20(23)24)6-8-15(14)21/h5-10,21-22H,3-4H2,1-2H3/b18-17+.
What are the key properties of 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol?
5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol has a molecular weight of 330.34 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 135608350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).