2-(diazenylmethyl)-4-methylphenol

C8H10N2O — CID 123647682

IUPAC2-(diazenylmethyl)-4-methylphenol
SMILES[H]/N=N/Cc1cc(C)ccc1O
InChIInChI=1S/C8H10N2O/c1-6-2-3-8(11)7(4-6)5-10-9/h2-4,9,11H,5H2,1H3/b10-9+
InChIKeySIKXVYHYIXOLNN-MDZDMXLPSA-N
MW150.18 g/mol
LogP2.23
Rot. Bonds2

About 2-(diazenylmethyl)-4-methylphenol

2-(diazenylmethyl)-4-methylphenol (PubChem CID 123647682) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(diazenylmethyl)-4-methylphenol.

Molecular Properties

Compound Name2-(diazenylmethyl)-4-methylphenol
PubChem CID123647682
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(diazenylmethyl)-4-methylphenol
SMILES[H]/N=N/Cc1cc(C)ccc1O
InChIInChI=1S/C8H10N2O/c1-6-2-3-8(11)7(4-6)5-10-9/h2-4,9,11H,5H2,1H3/b10-9+
InChIKeySIKXVYHYIXOLNN-MDZDMXLPSA-N
XLogP2.23
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-(diazenylmethyl)-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diazenylmethyl)-4-methylphenol?
The IUPAC name of 2-(diazenylmethyl)-4-methylphenol (CID 123647682) is 2-(diazenylmethyl)-4-methylphenol.
What is the SMILES notation for 2-(diazenylmethyl)-4-methylphenol?
The canonical SMILES for 2-(diazenylmethyl)-4-methylphenol is [H]/N=N/Cc1cc(C)ccc1O.
What is the InChIKey of 2-(diazenylmethyl)-4-methylphenol?
The InChIKey is SIKXVYHYIXOLNN-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-2-3-8(11)7(4-6)5-10-9/h2-4,9,11H,5H2,1H3/b10-9+.
What are the key properties of 2-(diazenylmethyl)-4-methylphenol?
2-(diazenylmethyl)-4-methylphenol has a molecular weight of 150.18 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diazenylmethyl)-4-methylphenol is sourced from PubChem (CID 123647682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).