2-triphenylphosphaniumylacetate;hydrochloride

C20H18ClO2P — CID 138401890

IUPAC2-triphenylphosphaniumylacetate;hydrochloride
SMILESCl.O=C([O-])C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17O2P.ClH/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H
InChIKeyBAUGURLXPLPVPL-UHFFFAOYSA-N
MW356.79 g/mol
LogP2.15
Rot. Bonds5

About 2-triphenylphosphaniumylacetate;hydrochloride

2-triphenylphosphaniumylacetate;hydrochloride (PubChem CID 138401890) has the molecular formula C20H18ClO2P and a molecular weight of 356.79 g/mol. Its IUPAC name is 2-triphenylphosphaniumylacetate;hydrochloride.

Molecular Properties

Compound Name2-triphenylphosphaniumylacetate;hydrochloride
PubChem CID138401890
Molecular FormulaC20H18ClO2P
Molecular Weight356.79 g/mol
Exact Mass356.07
IUPAC Name2-triphenylphosphaniumylacetate;hydrochloride
SMILESCl.O=C([O-])C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17O2P.ClH/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H
InChIKeyBAUGURLXPLPVPL-UHFFFAOYSA-N
XLogP2.15
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 52.15
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-triphenylphosphaniumylacetate;hydrochloride?
The IUPAC name of 2-triphenylphosphaniumylacetate;hydrochloride (CID 138401890) is 2-triphenylphosphaniumylacetate;hydrochloride.
What is the SMILES notation for 2-triphenylphosphaniumylacetate;hydrochloride?
The canonical SMILES for 2-triphenylphosphaniumylacetate;hydrochloride is Cl.O=C([O-])C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-triphenylphosphaniumylacetate;hydrochloride?
The InChIKey is BAUGURLXPLPVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17O2P.ClH/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H.
What are the key properties of 2-triphenylphosphaniumylacetate;hydrochloride?
2-triphenylphosphaniumylacetate;hydrochloride has a molecular weight of 356.79 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triphenylphosphaniumylacetate;hydrochloride is sourced from PubChem (CID 138401890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).