2-oxoethyl(triphenyl)phosphanium chloride

C20H18ClOP — CID 2733863

IUPAC2-oxoethyl(triphenyl)phosphanium chloride
SMILESO=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H18OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-16H,17H2;1H/q+1;/p-1
InChIKeyRVEJRPJGKXTQIF-UHFFFAOYSA-M
MW340.79 g/mol
LogP0.18
Rot. Bonds5

About 2-oxoethyl(triphenyl)phosphanium chloride

2-oxoethyl(triphenyl)phosphanium chloride (PubChem CID 2733863) has the molecular formula C20H18ClOP and a molecular weight of 340.79 g/mol. Its IUPAC name is 2-oxoethyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Name2-oxoethyl(triphenyl)phosphanium chloride
PubChem CID2733863
Molecular FormulaC20H18ClOP
Molecular Weight340.79 g/mol
Exact Mass340.08
IUPAC Name2-oxoethyl(triphenyl)phosphanium chloride
SMILESO=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H18OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-16H,17H2;1H/q+1;/p-1
InChIKeyRVEJRPJGKXTQIF-UHFFFAOYSA-M
XLogP0.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl(triphenyl)phosphanium chloride?
The IUPAC name of 2-oxoethyl(triphenyl)phosphanium chloride (CID 2733863) is 2-oxoethyl(triphenyl)phosphanium chloride.
What is the SMILES notation for 2-oxoethyl(triphenyl)phosphanium chloride?
The canonical SMILES for 2-oxoethyl(triphenyl)phosphanium chloride is O=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-oxoethyl(triphenyl)phosphanium chloride?
The InChIKey is RVEJRPJGKXTQIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-16H,17H2;1H/q+1;/p-1.
What are the key properties of 2-oxoethyl(triphenyl)phosphanium chloride?
2-oxoethyl(triphenyl)phosphanium chloride has a molecular weight of 340.79 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl(triphenyl)phosphanium chloride is sourced from PubChem (CID 2733863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).