2-methyl-6-[(4-nitrophenyl)diazenyl]phenol

C13H11N3O3 — CID 135789847

IUPAC2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
SMILESCc1cccc(/N=N/c2ccc([N+](=O)[O-])cc2)c1O
InChIInChI=1S/C13H11N3O3/c1-9-3-2-4-12(13(9)17)15-14-10-5-7-11(8-6-10)16(18)19/h2-8,17H,1H3/b15-14+
InChIKeyOTLUHEDYCWJOJV-CCEZHUSRSA-N
MW257.25 g/mol
LogP4.02
Rot. Bonds3

About 2-methyl-6-[(4-nitrophenyl)diazenyl]phenol

2-methyl-6-[(4-nitrophenyl)diazenyl]phenol (PubChem CID 135789847) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-methyl-6-[(4-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
PubChem CID135789847
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
SMILESCc1cccc(/N=N/c2ccc([N+](=O)[O-])cc2)c1O
InChIInChI=1S/C13H11N3O3/c1-9-3-2-4-12(13(9)17)15-14-10-5-7-11(8-6-10)16(18)19/h2-8,17H,1H3/b15-14+
InChIKeyOTLUHEDYCWJOJV-CCEZHUSRSA-N
XLogP4.02
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 54.02
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

2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
(4-nitrophenyl)-phenyldiazene
CID 17222
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
3-[(3-hydroxy-2-methylphenyl)diazenyl]-2-methylphenol;nitrobenzene
CID 159495095
methyl-(4-nitrophenyl)diazene
CID 20760343
4-methylbenzenesulfonic acid;(4-nitrophenyl)-phenyldiazene
CID 174911853
disodium;5-amino-4-hydroxy-3-[(2-methylphenyl)diazenyl]-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135755687
2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium
CID 59112489
28-methoxy-11,17,23-tris[(4-nitrophenyl)diazenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27-triol
CID 136859237
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
3-[3-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]pentane-1,5-diol
CID 165036826
potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide
CID 174886147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-nitrophenyl)diazenyl]phenol?
The IUPAC name of 2-methyl-6-[(4-nitrophenyl)diazenyl]phenol (CID 135789847) is 2-methyl-6-[(4-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 2-methyl-6-[(4-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 2-methyl-6-[(4-nitrophenyl)diazenyl]phenol is Cc1cccc(/N=N/c2ccc([N+](=O)[O-])cc2)c1O.
What is the InChIKey of 2-methyl-6-[(4-nitrophenyl)diazenyl]phenol?
The InChIKey is OTLUHEDYCWJOJV-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-9-3-2-4-12(13(9)17)15-14-10-5-7-11(8-6-10)16(18)19/h2-8,17H,1H3/b15-14+.
What are the key properties of 2-methyl-6-[(4-nitrophenyl)diazenyl]phenol?
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol has a molecular weight of 257.25 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 135789847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).