3-chloropropyl(triphenyl)phosphanium;gold

C21H21AuClP+ — CID 71396572

IUPAC3-chloropropyl(triphenyl)phosphanium;gold
SMILESClCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Au]
InChIInChI=1S/C21H21ClP.Au/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;/q+1;
InChIKeyJSUYNUAJRUICMZ-UHFFFAOYSA-N
MW536.79 g/mol
LogP4.61
Rot. Bonds6

About 3-chloropropyl(triphenyl)phosphanium;gold

3-chloropropyl(triphenyl)phosphanium;gold (PubChem CID 71396572) has the molecular formula C21H21AuClP+ and a molecular weight of 536.79 g/mol. Its IUPAC name is 3-chloropropyl(triphenyl)phosphanium;gold.

Molecular Properties

Compound Name3-chloropropyl(triphenyl)phosphanium;gold
PubChem CID71396572
Molecular FormulaC21H21AuClP+
Molecular Weight536.79 g/mol
Exact Mass536.07
IUPAC Name3-chloropropyl(triphenyl)phosphanium;gold
SMILESClCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Au]
InChIInChI=1S/C21H21ClP.Au/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;/q+1;
InChIKeyJSUYNUAJRUICMZ-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.79
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
4-fluorobutyl(triphenyl)phosphanium
CID 21187191
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
4-iodobutyl(triphenyl)phosphanium
CID 16760510
8-bromooctyl(triphenyl)phosphanium
CID 11991463
hexyl(triphenyl)phosphanium
CID 2724570
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
5-bromopentyl(triphenyl)phosphanium
CID 53436148
6-(chloroamino)hexyl-triphenylphosphanium
CID 87551290
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl(triphenyl)phosphanium;gold?
The IUPAC name of 3-chloropropyl(triphenyl)phosphanium;gold (CID 71396572) is 3-chloropropyl(triphenyl)phosphanium;gold.
What is the SMILES notation for 3-chloropropyl(triphenyl)phosphanium;gold?
The canonical SMILES for 3-chloropropyl(triphenyl)phosphanium;gold is ClCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Au].
What is the InChIKey of 3-chloropropyl(triphenyl)phosphanium;gold?
The InChIKey is JSUYNUAJRUICMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClP.Au/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;/q+1;.
What are the key properties of 3-chloropropyl(triphenyl)phosphanium;gold?
3-chloropropyl(triphenyl)phosphanium;gold has a molecular weight of 536.79 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(triphenyl)phosphanium;gold is sourced from PubChem (CID 71396572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).