4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol

C15H15N3O3 — CID 3359294

IUPAC4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol
SMILESCCc1ccc(O)c(/N=N/c2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C15H15N3O3/c1-3-11-7-8-15(19)13(9-11)17-16-12-5-4-6-14(10(12)2)18(20)21/h4-9,19H,3H2,1-2H3/b17-16+
InChIKeyMJRNIFOADXOAHA-WUKNDPDISA-N
MW285.30 g/mol
LogP4.59
Rot. Bonds4

About 4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol

4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol (PubChem CID 3359294) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol
PubChem CID3359294
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol
SMILESCCc1ccc(O)c(/N=N/c2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C15H15N3O3/c1-3-11-7-8-15(19)13(9-11)17-16-12-5-4-6-14(10(12)2)18(20)21/h4-9,19H,3H2,1-2H3/b17-16+
InChIKeyMJRNIFOADXOAHA-WUKNDPDISA-N
XLogP4.59
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.59
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

methyl-(2-methyl-3-nitrophenyl)diazene
CID 59633814
8-[(5-ethyl-2-nitrophenyl)diazenyl]-7-hydroxynaphthalene-1-sulfonic acid
CID 136855869
4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol
CID 690293
4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
CID 141193213
2-[(4-dodecyl-2-nitrophenyl)diazenyl]-4-methylphenol
CID 135708768
3-[(3-hydroxy-2-methylphenyl)diazenyl]-2-methylphenol;nitrobenzene
CID 159495095
ethane;4-ethyl-2-nitrosophenol
CID 177045182
2-ethyl-3-nitrophenol
CID 59302303
2-[(4-chloro-2-nitrophenyl)diazenyl]-4-(3-hydroxypropyl)phenol
CID 135554929
ethyl N-(2-methyl-3-nitrophenyl)propanimidate
CID 13047992
4-ethyl-2-(methylideneamino)phenol
CID 118350494
barium(2+);bis(5-[[4-ethyl-2-[hydroxy(oxo)azaniumyl]phenyl]diazenyl]-6-hydroxynaphthalene-1-sulfonate)
CID 136855953

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol?
The IUPAC name of 4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol (CID 3359294) is 4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol is CCc1ccc(O)c(/N=N/c2cccc([N+](=O)[O-])c2C)c1.
What is the InChIKey of 4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol?
The InChIKey is MJRNIFOADXOAHA-WUKNDPDISA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-11-7-8-15(19)13(9-11)17-16-12-5-4-6-14(10(12)2)18(20)21/h4-9,19H,3H2,1-2H3/b17-16+.
What are the key properties of 4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol?
4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol has a molecular weight of 285.30 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 3359294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).