(1-methoxy-2-oxoethyl)-triphenylphosphanium

C21H20O2P+ — CID 163771841

IUPAC(1-methoxy-2-oxoethyl)-triphenylphosphanium
SMILESCOC(C=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20O2P/c1-23-21(17-22)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3/q+1
InChIKeyPMURXTXKUHWCMC-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.15
Rot. Bonds6

About (1-methoxy-2-oxoethyl)-triphenylphosphanium

(1-methoxy-2-oxoethyl)-triphenylphosphanium (PubChem CID 163771841) has the molecular formula C21H20O2P+ and a molecular weight of 335.36 g/mol. Its IUPAC name is (1-methoxy-2-oxoethyl)-triphenylphosphanium.

Molecular Properties

Compound Name(1-methoxy-2-oxoethyl)-triphenylphosphanium
PubChem CID163771841
Molecular FormulaC21H20O2P+
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(1-methoxy-2-oxoethyl)-triphenylphosphanium
SMILESCOC(C=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20O2P/c1-23-21(17-22)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3/q+1
InChIKeyPMURXTXKUHWCMC-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methoxy-methyl-diphenylphosphanium
CID 23415298
methoxy(triphenyl)phosphanium;hydrobromide
CID 174550748
2,2-dimethoxyacetaldehyde;(E)-3-phenylprop-2-enal
CID 146635918
1,1-dimethoxyethane;2-phenylpropanal
CID 87274023
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
[1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium
CID 87069841
(2-methoxy-2-oxo-1-phenylethyl)-triphenylphosphanium bromide
CID 19797774
(2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal
CID 101467862
(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal
CID 52912809
(1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium
CID 11202417
[(Z)-pent-3-en-2-yl]-triphenylphosphanium
CID 13156142

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-oxoethyl)-triphenylphosphanium?
The IUPAC name of (1-methoxy-2-oxoethyl)-triphenylphosphanium (CID 163771841) is (1-methoxy-2-oxoethyl)-triphenylphosphanium.
What is the SMILES notation for (1-methoxy-2-oxoethyl)-triphenylphosphanium?
The canonical SMILES for (1-methoxy-2-oxoethyl)-triphenylphosphanium is COC(C=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methoxy-2-oxoethyl)-triphenylphosphanium?
The InChIKey is PMURXTXKUHWCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2P/c1-23-21(17-22)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3/q+1.
What are the key properties of (1-methoxy-2-oxoethyl)-triphenylphosphanium?
(1-methoxy-2-oxoethyl)-triphenylphosphanium has a molecular weight of 335.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-oxoethyl)-triphenylphosphanium is sourced from PubChem (CID 163771841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).