triphenyl(prop-2-enyl)phosphanium chloride

C21H20ClP — CID 2734120

IUPACtriphenyl(prop-2-enyl)phosphanium chloride
SMILESC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C21H20P.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1
InChIKeyFKMJROWWQOJRJX-UHFFFAOYSA-M
MW338.82 g/mol
LogP1.17
Rot. Bonds5

About triphenyl(prop-2-enyl)phosphanium chloride

triphenyl(prop-2-enyl)phosphanium chloride (PubChem CID 2734120) has the molecular formula C21H20ClP and a molecular weight of 338.82 g/mol. Its IUPAC name is triphenyl(prop-2-enyl)phosphanium chloride.

Molecular Properties

Compound Nametriphenyl(prop-2-enyl)phosphanium chloride
PubChem CID2734120
Molecular FormulaC21H20ClP
Molecular Weight338.82 g/mol
Exact Mass338.10
IUPAC Nametriphenyl(prop-2-enyl)phosphanium chloride
SMILESC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C21H20P.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1
InChIKeyFKMJROWWQOJRJX-UHFFFAOYSA-M
XLogP1.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(prop-2-enyl)phosphanium chloride?
The IUPAC name of triphenyl(prop-2-enyl)phosphanium chloride (CID 2734120) is triphenyl(prop-2-enyl)phosphanium chloride.
What is the SMILES notation for triphenyl(prop-2-enyl)phosphanium chloride?
The canonical SMILES for triphenyl(prop-2-enyl)phosphanium chloride is C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of triphenyl(prop-2-enyl)phosphanium chloride?
The InChIKey is FKMJROWWQOJRJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20P.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1.
What are the key properties of triphenyl(prop-2-enyl)phosphanium chloride?
triphenyl(prop-2-enyl)phosphanium chloride has a molecular weight of 338.82 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(prop-2-enyl)phosphanium chloride is sourced from PubChem (CID 2734120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).