4-[(3-bromophenyl)diazenyl]phenol

C12H9BrN2O — CID 135843141

IUPAC4-[(3-bromophenyl)diazenyl]phenol
SMILESOc1ccc(/N=N/c2cccc(Br)c2)cc1
InChIInChI=1S/C12H9BrN2O/c13-9-2-1-3-11(8-9)15-14-10-4-6-12(16)7-5-10/h1-8,16H/b15-14+
InChIKeyKLTIGIZTGYQXHO-CCEZHUSRSA-N
MW277.12 g/mol
LogP4.57
Rot. Bonds2

About 4-[(3-bromophenyl)diazenyl]phenol

4-[(3-bromophenyl)diazenyl]phenol (PubChem CID 135843141) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 4-[(3-bromophenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(3-bromophenyl)diazenyl]phenol
PubChem CID135843141
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name4-[(3-bromophenyl)diazenyl]phenol
SMILESOc1ccc(/N=N/c2cccc(Br)c2)cc1
InChIInChI=1S/C12H9BrN2O/c13-9-2-1-3-11(8-9)15-14-10-4-6-12(16)7-5-10/h1-8,16H/b15-14+
InChIKeyKLTIGIZTGYQXHO-CCEZHUSRSA-N
XLogP4.57
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 54.57
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-[(3-bromophenyl)diazenyl]phenol?
The IUPAC name of 4-[(3-bromophenyl)diazenyl]phenol (CID 135843141) is 4-[(3-bromophenyl)diazenyl]phenol.
What is the SMILES notation for 4-[(3-bromophenyl)diazenyl]phenol?
The canonical SMILES for 4-[(3-bromophenyl)diazenyl]phenol is Oc1ccc(/N=N/c2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenyl)diazenyl]phenol?
The InChIKey is KLTIGIZTGYQXHO-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-9-2-1-3-11(8-9)15-14-10-4-6-12(16)7-5-10/h1-8,16H/b15-14+.
What are the key properties of 4-[(3-bromophenyl)diazenyl]phenol?
4-[(3-bromophenyl)diazenyl]phenol has a molecular weight of 277.12 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)diazenyl]phenol is sourced from PubChem (CID 135843141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).