(4-acetylphenyl)-triphenylphosphanium

C26H22OP+ — CID 12663643

IUPAC(4-acetylphenyl)-triphenylphosphanium
SMILESCC(=O)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22OP/c1-21(27)22-17-19-26(20-18-22)28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3/q+1
InChIKeyKZJANOORQJVPDK-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.51
Rot. Bonds5

About (4-acetylphenyl)-triphenylphosphanium

(4-acetylphenyl)-triphenylphosphanium (PubChem CID 12663643) has the molecular formula C26H22OP+ and a molecular weight of 381.44 g/mol. Its IUPAC name is (4-acetylphenyl)-triphenylphosphanium.

Molecular Properties

Compound Name(4-acetylphenyl)-triphenylphosphanium
PubChem CID12663643
Molecular FormulaC26H22OP+
Molecular Weight381.44 g/mol
Exact Mass381.14
IUPAC Name(4-acetylphenyl)-triphenylphosphanium
SMILESCC(=O)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22OP/c1-21(27)22-17-19-26(20-18-22)28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3/q+1
InChIKeyKZJANOORQJVPDK-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-acetylphenyl)-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
(4-methoxycarbonylphenyl)-triphenylphosphanium
CID 19810472
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
CID 22025249
CID 22025249
1-phenylethanone;hydrate;hydrochloride
CID 21258111
CID 173404741
CID 173404741
ethane;1-phenylethanone;propan-2-one
CID 91456675
ethane;1-(4-phenylphenyl)ethanone
CID 123256888

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl)-triphenylphosphanium?
The IUPAC name of (4-acetylphenyl)-triphenylphosphanium (CID 12663643) is (4-acetylphenyl)-triphenylphosphanium.
What is the SMILES notation for (4-acetylphenyl)-triphenylphosphanium?
The canonical SMILES for (4-acetylphenyl)-triphenylphosphanium is CC(=O)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-acetylphenyl)-triphenylphosphanium?
The InChIKey is KZJANOORQJVPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22OP/c1-21(27)22-17-19-26(20-18-22)28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3/q+1.
What are the key properties of (4-acetylphenyl)-triphenylphosphanium?
(4-acetylphenyl)-triphenylphosphanium has a molecular weight of 381.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl)-triphenylphosphanium is sourced from PubChem (CID 12663643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).