4-(3-acetylphenyl)benzenediazonium

C14H11N2O+ — CID 175218117

IUPAC4-(3-acetylphenyl)benzenediazonium
SMILESCC(=O)c1cccc(-c2ccc([N+]#N)cc2)c1
InChIInChI=1S/C14H11N2O/c1-10(17)12-3-2-4-13(9-12)11-5-7-14(16-15)8-6-11/h2-9H,1H3/q+1
InChIKeyHQSFOFVIUKLXPE-UHFFFAOYSA-N
MW223.25 g/mol
LogP4.04
Rot. Bonds2

About 4-(3-acetylphenyl)benzenediazonium

4-(3-acetylphenyl)benzenediazonium (PubChem CID 175218117) has the molecular formula C14H11N2O+ and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-(3-acetylphenyl)benzenediazonium.

Molecular Properties

Compound Name4-(3-acetylphenyl)benzenediazonium
PubChem CID175218117
Molecular FormulaC14H11N2O+
Molecular Weight223.25 g/mol
Exact Mass223.09
IUPAC Name4-(3-acetylphenyl)benzenediazonium
SMILESCC(=O)c1cccc(-c2ccc([N+]#N)cc2)c1
InChIInChI=1S/C14H11N2O/c1-10(17)12-3-2-4-13(9-12)11-5-7-14(16-15)8-6-11/h2-9H,1H3/q+1
InChIKeyHQSFOFVIUKLXPE-UHFFFAOYSA-N
XLogP4.04
TPSA45.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
CID 61034135
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
1-[3-(4-fluoro-3-hydroxyphenyl)phenyl]ethanone
CID 53219389
(2R)-3-[4-(3-acetylphenyl)phenyl]-2-aminopropanoic acid;hydrochloride
CID 71685854
1-[3-(4-butylphenyl)phenyl]ethanone
CID 11334246
1-azulen-2-ylethanone
CID 15255141
1-[3-[(1E)-1-hydroxyimino-3,3-dimethyl-2H-inden-5-yl]phenyl]ethanone
CID 87782327
5-(3-acetylphenyl)-2-hydroxybenzaldehyde
CID 53220389
1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone
CID 144853232
3-[4-(3-acetylphenyl)phenyl]-4-amino-4-oxobutanoic acid
CID 68833578
(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile
CID 170147689
5-(3-acetylphenyl)-3,3-dimethyl-2H-inden-1-one
CID 69039120

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)benzenediazonium?
The IUPAC name of 4-(3-acetylphenyl)benzenediazonium (CID 175218117) is 4-(3-acetylphenyl)benzenediazonium.
What is the SMILES notation for 4-(3-acetylphenyl)benzenediazonium?
The canonical SMILES for 4-(3-acetylphenyl)benzenediazonium is CC(=O)c1cccc(-c2ccc([N+]#N)cc2)c1.
What is the InChIKey of 4-(3-acetylphenyl)benzenediazonium?
The InChIKey is HQSFOFVIUKLXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2O/c1-10(17)12-3-2-4-13(9-12)11-5-7-14(16-15)8-6-11/h2-9H,1H3/q+1.
What are the key properties of 4-(3-acetylphenyl)benzenediazonium?
4-(3-acetylphenyl)benzenediazonium has a molecular weight of 223.25 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)benzenediazonium is sourced from PubChem (CID 175218117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).