2,6-dimethyl-4-(methyldiazenyl)phenol

C9H12N2O — CID 136994157

IUPAC2,6-dimethyl-4-(methyldiazenyl)phenol
SMILESC/N=N/c1cc(C)c(O)c(C)c1
InChIInChI=1S/C9H12N2O/c1-6-4-8(11-10-3)5-7(2)9(6)12/h4-5,12H,1-3H3/b11-10+
InChIKeyJCHXVTWFDPRDDI-ZHACJKMWSA-N
MW164.21 g/mol
LogP2.72
Rot. Bonds1

About 2,6-dimethyl-4-(methyldiazenyl)phenol

2,6-dimethyl-4-(methyldiazenyl)phenol (PubChem CID 136994157) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,6-dimethyl-4-(methyldiazenyl)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(methyldiazenyl)phenol
PubChem CID136994157
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,6-dimethyl-4-(methyldiazenyl)phenol
SMILESC/N=N/c1cc(C)c(O)c(C)c1
InChIInChI=1S/C9H12N2O/c1-6-4-8(11-10-3)5-7(2)9(6)12/h4-5,12H,1-3H3/b11-10+
InChIKeyJCHXVTWFDPRDDI-ZHACJKMWSA-N
XLogP2.72
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
CID 136901382
2,6-dimethyl-4-[(2-methylphenyl)diazenyl]phenol
CID 137240605
(3,4-dimethylphenyl)-methyldiazene;ethane
CID 91109897
6-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136742455
4-[(4-hydroxy-3,5-dimethylphenyl)diselanyl]-2,6-dimethylphenol
CID 59843656
3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol
CID 135597296
4-[(3-carboxy-4-hydroxy-5-methylphenyl)diazenyl]phthalic acid
CID 174516752
4-[(4-hydroxy-3,5-dimethylphenyl)disulfanyl]-2,6-dimethylphenol
CID 23361225
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
4-(4-hydroxy-3,5-dimethylphenyl)tellanyl-2,6-dimethylphenol
CID 10044622
4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol
CID 146303412
4-[(4-hydroxy-3,5-dimethylphenyl)ditellanyl]-2,6-dimethylphenol
CID 10458540

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(methyldiazenyl)phenol?
The IUPAC name of 2,6-dimethyl-4-(methyldiazenyl)phenol (CID 136994157) is 2,6-dimethyl-4-(methyldiazenyl)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(methyldiazenyl)phenol?
The canonical SMILES for 2,6-dimethyl-4-(methyldiazenyl)phenol is C/N=N/c1cc(C)c(O)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-(methyldiazenyl)phenol?
The InChIKey is JCHXVTWFDPRDDI-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-4-8(11-10-3)5-7(2)9(6)12/h4-5,12H,1-3H3/b11-10+.
What are the key properties of 2,6-dimethyl-4-(methyldiazenyl)phenol?
2,6-dimethyl-4-(methyldiazenyl)phenol has a molecular weight of 164.21 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(methyldiazenyl)phenol is sourced from PubChem (CID 136994157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).