1-(4-phenyldiazenylphenyl)ethanone

C14H12N2O — CID 4650653

IUPAC1-(4-phenyldiazenylphenyl)ethanone
SMILESCC(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H12N2O/c1-11(17)12-7-9-14(10-8-12)16-15-13-5-3-2-4-6-13/h2-10H,1H3/b16-15+
InChIKeyUYXKSJRBCLSBNE-FOCLMDBBSA-N
MW224.26 g/mol
LogP4.30
Rot. Bonds3

About 1-(4-phenyldiazenylphenyl)ethanone

1-(4-phenyldiazenylphenyl)ethanone (PubChem CID 4650653) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-phenyldiazenylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-phenyldiazenylphenyl)ethanone
PubChem CID4650653
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-(4-phenyldiazenylphenyl)ethanone
SMILESCC(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H12N2O/c1-11(17)12-7-9-14(10-8-12)16-15-13-5-3-2-4-6-13/h2-10H,1H3/b16-15+
InChIKeyUYXKSJRBCLSBNE-FOCLMDBBSA-N
XLogP4.30
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 54.30
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-phenyldiazenylphenyl)ethanone?
The IUPAC name of 1-(4-phenyldiazenylphenyl)ethanone (CID 4650653) is 1-(4-phenyldiazenylphenyl)ethanone.
What is the SMILES notation for 1-(4-phenyldiazenylphenyl)ethanone?
The canonical SMILES for 1-(4-phenyldiazenylphenyl)ethanone is CC(=O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenyldiazenylphenyl)ethanone?
The InChIKey is UYXKSJRBCLSBNE-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H12N2O/c1-11(17)12-7-9-14(10-8-12)16-15-13-5-3-2-4-6-13/h2-10H,1H3/b16-15+.
What are the key properties of 1-(4-phenyldiazenylphenyl)ethanone?
1-(4-phenyldiazenylphenyl)ethanone has a molecular weight of 224.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyldiazenylphenyl)ethanone is sourced from PubChem (CID 4650653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).