(2-oxooxolan-3-yl)-triphenylphosphanium

C22H20O2P+ — CID 6332532

IUPAC(2-oxooxolan-3-yl)-triphenylphosphanium
SMILESO=C1OCCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2P/c23-22-21(16-17-24-22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/q+1
InChIKeyFMWLTKFCGQHFLU-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.30
Rot. Bonds4

About (2-oxooxolan-3-yl)-triphenylphosphanium

(2-oxooxolan-3-yl)-triphenylphosphanium (PubChem CID 6332532) has the molecular formula C22H20O2P+ and a molecular weight of 347.37 g/mol. Its IUPAC name is (2-oxooxolan-3-yl)-triphenylphosphanium.

Molecular Properties

Compound Name(2-oxooxolan-3-yl)-triphenylphosphanium
PubChem CID6332532
Molecular FormulaC22H20O2P+
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name(2-oxooxolan-3-yl)-triphenylphosphanium
SMILESO=C1OCCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2P/c23-22-21(16-17-24-22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/q+1
InChIKeyFMWLTKFCGQHFLU-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl)-triphenylphosphanium?
The IUPAC name of (2-oxooxolan-3-yl)-triphenylphosphanium (CID 6332532) is (2-oxooxolan-3-yl)-triphenylphosphanium.
What is the SMILES notation for (2-oxooxolan-3-yl)-triphenylphosphanium?
The canonical SMILES for (2-oxooxolan-3-yl)-triphenylphosphanium is O=C1OCCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxooxolan-3-yl)-triphenylphosphanium?
The InChIKey is FMWLTKFCGQHFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2P/c23-22-21(16-17-24-22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/q+1.
What are the key properties of (2-oxooxolan-3-yl)-triphenylphosphanium?
(2-oxooxolan-3-yl)-triphenylphosphanium has a molecular weight of 347.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl)-triphenylphosphanium is sourced from PubChem (CID 6332532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).