4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol

C14H12N4O5 — CID 136728959

IUPAC4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
SMILESCc1cc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O
InChIInChI=1S/C14H12N4O5/c1-8-5-10(6-9(2)14(8)19)15-16-12-4-3-11(17(20)21)7-13(12)18(22)23/h3-7,19H,1-2H3/b16-15+
InChIKeyPOLFBRDEDFQWFL-FOCLMDBBSA-N
MW316.27 g/mol
LogP4.24
Rot. Bonds4

About 4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol

4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol (PubChem CID 136728959) has the molecular formula C14H12N4O5 and a molecular weight of 316.27 g/mol. Its IUPAC name is 4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
PubChem CID136728959
Molecular FormulaC14H12N4O5
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC Name4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
SMILESCc1cc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O
InChIInChI=1S/C14H12N4O5/c1-8-5-10(6-9(2)14(8)19)15-16-12-4-3-11(17(20)21)7-13(12)18(22)23/h3-7,19H,1-2H3/b16-15+
InChIKeyPOLFBRDEDFQWFL-FOCLMDBBSA-N
XLogP4.24
TPSA131.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
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

10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
CID 102292228
3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol
CID 171982731
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
CID 3094136
SODIUM 4-(4-(2,4-DINITRO-PHENYLAMINO)-2-NITRO-PHENYLAZO)-BENZENESULFONATE
CID 126959950
4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
CID 136901382
2,3-dimethylbuta-1,3-dienyl-(2,4-dinitrophenyl)diazene
CID 131880074
sodium;hydride;2-methyl-4,6-dinitrophenol
CID 173366474
2-[N-(2-hydroxyethyl)-4-[(2-methyl-4-nitrophenyl)diazenyl]anilino]ethanol
CID 71387840
2-(2,4-dinitrophenyl)iminopropanoic acid
CID 71372052
(5S,13S)-19-[(2,4-dinitrophenyl)diazenyl]-5,13-bis(4-methoxyphenyl)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-ol
CID 135528222

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol (CID 136728959) is 4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol is Cc1cc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O.
What is the InChIKey of 4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol?
The InChIKey is POLFBRDEDFQWFL-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H12N4O5/c1-8-5-10(6-9(2)14(8)19)15-16-12-4-3-11(17(20)21)7-13(12)18(22)23/h3-7,19H,1-2H3/b16-15+.
What are the key properties of 4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol?
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol has a molecular weight of 316.27 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol is sourced from PubChem (CID 136728959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).