ethane;1-(4-phenyldiazenylphenyl)ethanone

C16H18N2O — CID 165138177

IUPACethane;1-(4-phenyldiazenylphenyl)ethanone
SMILESCC.CC(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H12N2O.C2H6/c1-11(17)12-7-9-14(10-8-12)16-15-13-5-3-2-4-6-13;1-2/h2-10H,1H3;1-2H3/b16-15+;
InChIKeyVZXRZRFYUJTWIF-GEEYTBSJSA-N
MW254.33 g/mol
LogP5.33
Rot. Bonds3

About ethane;1-(4-phenyldiazenylphenyl)ethanone

ethane;1-(4-phenyldiazenylphenyl)ethanone (PubChem CID 165138177) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is ethane;1-(4-phenyldiazenylphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-phenyldiazenylphenyl)ethanone
PubChem CID165138177
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Nameethane;1-(4-phenyldiazenylphenyl)ethanone
SMILESCC.CC(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H12N2O.C2H6/c1-11(17)12-7-9-14(10-8-12)16-15-13-5-3-2-4-6-13;1-2/h2-10H,1H3;1-2H3/b16-15+;
InChIKeyVZXRZRFYUJTWIF-GEEYTBSJSA-N
XLogP5.33
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.33
LogP ≤ 55.33
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 ethane;1-(4-phenyldiazenylphenyl)ethanone?
The IUPAC name of ethane;1-(4-phenyldiazenylphenyl)ethanone (CID 165138177) is ethane;1-(4-phenyldiazenylphenyl)ethanone.
What is the SMILES notation for ethane;1-(4-phenyldiazenylphenyl)ethanone?
The canonical SMILES for ethane;1-(4-phenyldiazenylphenyl)ethanone is CC.CC(=O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of ethane;1-(4-phenyldiazenylphenyl)ethanone?
The InChIKey is VZXRZRFYUJTWIF-GEEYTBSJSA-N. The full InChI is InChI=1S/C14H12N2O.C2H6/c1-11(17)12-7-9-14(10-8-12)16-15-13-5-3-2-4-6-13;1-2/h2-10H,1H3;1-2H3/b16-15+;.
What are the key properties of ethane;1-(4-phenyldiazenylphenyl)ethanone?
ethane;1-(4-phenyldiazenylphenyl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-phenyldiazenylphenyl)ethanone is sourced from PubChem (CID 165138177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).