2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol

C16H18N4O3 — CID 150788680

IUPAC2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol
SMILESCCc1ccc(/N=N/c2ccc([N+](=O)[O-])c(CCO)c2N)cc1
InChIInChI=1S/C16H18N4O3/c1-2-11-3-5-12(6-4-11)18-19-14-7-8-15(20(22)23)13(9-10-21)16(14)17/h3-8,21H,2,9-10,17H2,1H3/b19-18+
InChIKeyKDJPOVOOBWQQSS-VHEBQXMUSA-N
MW314.35 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol

2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol (PubChem CID 150788680) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol
PubChem CID150788680
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol
SMILESCCc1ccc(/N=N/c2ccc([N+](=O)[O-])c(CCO)c2N)cc1
InChIInChI=1S/C16H18N4O3/c1-2-11-3-5-12(6-4-11)18-19-14-7-8-15(20(22)23)13(9-10-21)16(14)17/h3-8,21H,2,9-10,17H2,1H3/b19-18+
InChIKeyKDJPOVOOBWQQSS-VHEBQXMUSA-N
XLogP3.69
TPSA114.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

2-(3-amino-2-fluoro-6-nitrophenyl)ethanol
CID 20792213
2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol
CID 91156521
2-amino-6-(2-hydroxyethyl)-3-nitrophenol
CID 67031897
2-[N-ethyl-4-[(4-nitronaphthalen-1-yl)diazenyl]anilino]ethanol
CID 59814976
3-[3-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]pentane-1,5-diol
CID 165036826
2-(3-amino-4-ethyl-2-nitrophenyl)ethanol
CID 142998894
2-butyl-3,6-dinitrophenol
CID 101292289
[4-[(2-nitrophenyl)diazenyl]phenyl]methyl 2-cyanobutanoate
CID 140898435
2-(2,6-difluoro-3-nitrophenyl)ethanol
CID 130047508
2-[N-(2-hydroxyethyl)-4-[(2-methyl-4-nitrophenyl)diazenyl]anilino]ethanol
CID 71387840
2-[3-methyl-4-[(4-nitrophenyl)diazenyl]-N-propylanilino]ethanol
CID 165108289
4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol
CID 3359294

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol?
The IUPAC name of 2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol (CID 150788680) is 2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol.
What is the SMILES notation for 2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol?
The canonical SMILES for 2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol is CCc1ccc(/N=N/c2ccc([N+](=O)[O-])c(CCO)c2N)cc1.
What is the InChIKey of 2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol?
The InChIKey is KDJPOVOOBWQQSS-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-11-3-5-12(6-4-11)18-19-14-7-8-15(20(22)23)13(9-10-21)16(14)17/h3-8,21H,2,9-10,17H2,1H3/b19-18+.
What are the key properties of 2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol?
2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol has a molecular weight of 314.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol is sourced from PubChem (CID 150788680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).