(2-phenacyloxyphenyl)methyl-triphenylphosphanium

C33H28O2P+ — CID 172741164

IUPAC(2-phenacyloxyphenyl)methyl-triphenylphosphanium
SMILESO=C(COc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28O2P/c34-32(27-15-5-1-6-16-27)25-35-33-24-14-13-17-28(33)26-36(29-18-7-2-8-19-29,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-24H,25-26H2/q+1
InChIKeyDBDXNNFPTAUHGZ-UHFFFAOYSA-N
MW487.56 g/mol
LogP6.44
Rot. Bonds9

About (2-phenacyloxyphenyl)methyl-triphenylphosphanium

(2-phenacyloxyphenyl)methyl-triphenylphosphanium (PubChem CID 172741164) has the molecular formula C33H28O2P+ and a molecular weight of 487.56 g/mol. Its IUPAC name is (2-phenacyloxyphenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(2-phenacyloxyphenyl)methyl-triphenylphosphanium
PubChem CID172741164
Molecular FormulaC33H28O2P+
Molecular Weight487.56 g/mol
Exact Mass487.18
IUPAC Name(2-phenacyloxyphenyl)methyl-triphenylphosphanium
SMILESO=C(COc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28O2P/c34-32(27-15-5-1-6-16-27)25-35-33-24-14-13-17-28(33)26-36(29-18-7-2-8-19-29,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-24H,25-26H2/q+1
InChIKeyDBDXNNFPTAUHGZ-UHFFFAOYSA-N
XLogP6.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxycarbonyloxyphenyl)methyl-triphenylphosphanium
CID 10791716
triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride
CID 19423967
2-phenacyloxybenzoic acid
CID 23764826
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 19423996
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
2-(2-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43412435
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
(2-phenacyloxyphenyl) acetate
CID 2303836
2-phenacyloxybenzamide
CID 43218588
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120

Frequently Asked Questions

What is the IUPAC name of (2-phenacyloxyphenyl)methyl-triphenylphosphanium?
The IUPAC name of (2-phenacyloxyphenyl)methyl-triphenylphosphanium (CID 172741164) is (2-phenacyloxyphenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (2-phenacyloxyphenyl)methyl-triphenylphosphanium?
The canonical SMILES for (2-phenacyloxyphenyl)methyl-triphenylphosphanium is O=C(COc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-phenacyloxyphenyl)methyl-triphenylphosphanium?
The InChIKey is DBDXNNFPTAUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O2P/c34-32(27-15-5-1-6-16-27)25-35-33-24-14-13-17-28(33)26-36(29-18-7-2-8-19-29,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-24H,25-26H2/q+1.
What are the key properties of (2-phenacyloxyphenyl)methyl-triphenylphosphanium?
(2-phenacyloxyphenyl)methyl-triphenylphosphanium has a molecular weight of 487.56 g/mol, XLogP of 6.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenacyloxyphenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 172741164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).