4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol

C14H13BrN2O — CID 137287745

IUPAC4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol
SMILESCc1cc(/N=N/c2ccc(O)cc2)cc(C)c1Br
InChIInChI=1S/C14H13BrN2O/c1-9-7-12(8-10(2)14(9)15)17-16-11-3-5-13(18)6-4-11/h3-8,18H,1-2H3/b17-16+
InChIKeyFLLAYWIHFHCDBO-WUKNDPDISA-N
MW305.18 g/mol
LogP5.19
Rot. Bonds2

About 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol

4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol (PubChem CID 137287745) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol
PubChem CID137287745
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol
SMILESCc1cc(/N=N/c2ccc(O)cc2)cc(C)c1Br
InChIInChI=1S/C14H13BrN2O/c1-9-7-12(8-10(2)14(9)15)17-16-11-3-5-13(18)6-4-11/h3-8,18H,1-2H3/b17-16+
InChIKeyFLLAYWIHFHCDBO-WUKNDPDISA-N
XLogP5.19
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.18
LogP ≤ 55.19
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'}

Analyze 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol 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 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol?
The IUPAC name of 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol (CID 137287745) is 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol.
What is the SMILES notation for 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol?
The canonical SMILES for 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol is Cc1cc(/N=N/c2ccc(O)cc2)cc(C)c1Br.
What is the InChIKey of 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol?
The InChIKey is FLLAYWIHFHCDBO-WUKNDPDISA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-7-12(8-10(2)14(9)15)17-16-11-3-5-13(18)6-4-11/h3-8,18H,1-2H3/b17-16+.
What are the key properties of 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol?
4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol has a molecular weight of 305.18 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3,5-dimethylphenyl)diazenyl]phenol is sourced from PubChem (CID 137287745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).