4-[(4-propan-2-ylphenyl)diazenyl]phenol

C15H16N2O — CID 135566558

IUPAC4-[(4-propan-2-ylphenyl)diazenyl]phenol
SMILESCC(C)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C15H16N2O/c1-11(2)12-3-5-13(6-4-12)16-17-14-7-9-15(18)10-8-14/h3-11,18H,1-2H3/b17-16+
InChIKeyNQJVTPMZGHHWGR-WUKNDPDISA-N
MW240.31 g/mol
LogP4.93
Rot. Bonds3

About 4-[(4-propan-2-ylphenyl)diazenyl]phenol

4-[(4-propan-2-ylphenyl)diazenyl]phenol (PubChem CID 135566558) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)diazenyl]phenol
PubChem CID135566558
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-[(4-propan-2-ylphenyl)diazenyl]phenol
SMILESCC(C)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C15H16N2O/c1-11(2)12-3-5-13(6-4-12)16-17-14-7-9-15(18)10-8-14/h3-11,18H,1-2H3/b17-16+
InChIKeyNQJVTPMZGHHWGR-WUKNDPDISA-N
XLogP4.93
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.93
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-propan-2-ylphenyl)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-propan-2-ylphenyl)diazenyl]phenol?
The IUPAC name of 4-[(4-propan-2-ylphenyl)diazenyl]phenol (CID 135566558) is 4-[(4-propan-2-ylphenyl)diazenyl]phenol.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)diazenyl]phenol?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)diazenyl]phenol is CC(C)c1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)diazenyl]phenol?
The InChIKey is NQJVTPMZGHHWGR-WUKNDPDISA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(2)12-3-5-13(6-4-12)16-17-14-7-9-15(18)10-8-14/h3-11,18H,1-2H3/b17-16+.
What are the key properties of 4-[(4-propan-2-ylphenyl)diazenyl]phenol?
4-[(4-propan-2-ylphenyl)diazenyl]phenol has a molecular weight of 240.31 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)diazenyl]phenol is sourced from PubChem (CID 135566558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).