4-Methoxyazobenzene

C13H12N2O — CID 16966

About 4-Methoxyazobenzene

4-Methoxyazobenzene (PubChem CID 16966) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (4-methoxyphenyl)-phenyldiazene.

Molecular Properties

• Compound Name: 4-Methoxyazobenzene
• PubChem CID: 16966
• Molecular Formula: C13H12N2O
• Molecular Weight: 212.25 g/mol
• Exact Mass: 212.09
• IUPAC Name: (4-methoxyphenyl)-phenyldiazene
• SMILES: COC1=CC=C(C=C1)N=NC2=CC=CC=C2
• InChIKey: LGCRPKOHRIXSEG-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 34.00 Ų
• H-Bond Donors: 0
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: 216

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	212.25
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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