4-[(2-bromo-4-methylphenyl)diazenyl]phenol

C13H11BrN2O — CID 564714

IUPAC4-[(2-bromo-4-methylphenyl)diazenyl]phenol
SMILESCc1ccc(/N=N/c2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C13H11BrN2O/c1-9-2-7-13(12(14)8-9)16-15-10-3-5-11(17)6-4-10/h2-8,17H,1H3/b16-15+
InChIKeyYIDMWLUFNVJJHD-FOCLMDBBSA-N
MW291.15 g/mol
LogP4.88
Rot. Bonds2

About 4-[(2-bromo-4-methylphenyl)diazenyl]phenol

4-[(2-bromo-4-methylphenyl)diazenyl]phenol (PubChem CID 564714) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-[(2-bromo-4-methylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(2-bromo-4-methylphenyl)diazenyl]phenol
PubChem CID564714
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name4-[(2-bromo-4-methylphenyl)diazenyl]phenol
SMILESCc1ccc(/N=N/c2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C13H11BrN2O/c1-9-2-7-13(12(14)8-9)16-15-10-3-5-11(17)6-4-10/h2-8,17H,1H3/b16-15+
InChIKeyYIDMWLUFNVJJHD-FOCLMDBBSA-N
XLogP4.88
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 54.88
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-methylphenyl)diazenyl]phenol?
The IUPAC name of 4-[(2-bromo-4-methylphenyl)diazenyl]phenol (CID 564714) is 4-[(2-bromo-4-methylphenyl)diazenyl]phenol.
What is the SMILES notation for 4-[(2-bromo-4-methylphenyl)diazenyl]phenol?
The canonical SMILES for 4-[(2-bromo-4-methylphenyl)diazenyl]phenol is Cc1ccc(/N=N/c2ccc(O)cc2)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-methylphenyl)diazenyl]phenol?
The InChIKey is YIDMWLUFNVJJHD-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-2-7-13(12(14)8-9)16-15-10-3-5-11(17)6-4-10/h2-8,17H,1H3/b16-15+.
What are the key properties of 4-[(2-bromo-4-methylphenyl)diazenyl]phenol?
4-[(2-bromo-4-methylphenyl)diazenyl]phenol has a molecular weight of 291.15 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-methylphenyl)diazenyl]phenol is sourced from PubChem (CID 564714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).