1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone

C15H14N2O — CID 5084053

IUPAC1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C15H14N2O/c1-11-3-7-14(8-4-11)16-17-15-9-5-13(6-10-15)12(2)18/h3-10H,1-2H3/b17-16+
InChIKeyZLQQSJMVUAEPBI-WUKNDPDISA-N
MW238.29 g/mol
LogP4.61
Rot. Bonds3

About 1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone

1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone (PubChem CID 5084053) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone
PubChem CID5084053
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C15H14N2O/c1-11-3-7-14(8-4-11)16-17-15-9-5-13(6-10-15)12(2)18/h3-10H,1-2H3/b17-16+
InChIKeyZLQQSJMVUAEPBI-WUKNDPDISA-N
XLogP4.61
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.61
H-Bond Donors ≤ 50
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 1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone (CID 5084053) is 1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone is CC(=O)c1ccc(/N=N/c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone?
The InChIKey is ZLQQSJMVUAEPBI-WUKNDPDISA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-3-7-14(8-4-11)16-17-15-9-5-13(6-10-15)12(2)18/h3-10H,1-2H3/b17-16+.
What are the key properties of 1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone?
1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone has a molecular weight of 238.29 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)diazenyl]phenyl]ethanone is sourced from PubChem (CID 5084053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).