dichlorophosphanyl-diphenyl-propylphosphanium

C15H17Cl2P2+ — CID 175287406

IUPACdichlorophosphanyl-diphenyl-propylphosphanium
SMILESCCC[P+](c1ccccc1)(c1ccccc1)P(Cl)Cl
InChIInChI=1S/C15H17Cl2P2/c1-2-13-19(18(16)17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3/q+1
InChIKeyHDAGPVDLHDBJSL-UHFFFAOYSA-N
MW330.16 g/mol
LogP5.77
Rot. Bonds5

About dichlorophosphanyl-diphenyl-propylphosphanium

dichlorophosphanyl-diphenyl-propylphosphanium (PubChem CID 175287406) has the molecular formula C15H17Cl2P2+ and a molecular weight of 330.16 g/mol. Its IUPAC name is dichlorophosphanyl-diphenyl-propylphosphanium.

Molecular Properties

Compound Namedichlorophosphanyl-diphenyl-propylphosphanium
PubChem CID175287406
Molecular FormulaC15H17Cl2P2+
Molecular Weight330.16 g/mol
Exact Mass329.02
IUPAC Namedichlorophosphanyl-diphenyl-propylphosphanium
SMILESCCC[P+](c1ccccc1)(c1ccccc1)P(Cl)Cl
InChIInChI=1S/C15H17Cl2P2/c1-2-13-19(18(16)17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3/q+1
InChIKeyHDAGPVDLHDBJSL-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.16
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphanyl-diphenyl-propylphosphanium
CID 88639997
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
diphenyl(dipropyl)phosphanium chloride
CID 69307646
methyl-phenyl-dipropylphosphanium
CID 70584071
ethyl-methyl-phenyl-propylphosphanium
CID 2785204
hexyl(triphenyl)phosphanium
CID 2724570
chloro-ethyl-diphenylphosphanium
CID 15830242
butyl-chloro-(methoxymethyl)-phenylphosphanium
CID 89075332
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
dodecyl(triphenyl)phosphanium iodide
CID 22245251
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
dodecyl(triphenyl)phosphanium fluoride
CID 88725542

Frequently Asked Questions

What is the IUPAC name of dichlorophosphanyl-diphenyl-propylphosphanium?
The IUPAC name of dichlorophosphanyl-diphenyl-propylphosphanium (CID 175287406) is dichlorophosphanyl-diphenyl-propylphosphanium.
What is the SMILES notation for dichlorophosphanyl-diphenyl-propylphosphanium?
The canonical SMILES for dichlorophosphanyl-diphenyl-propylphosphanium is CCC[P+](c1ccccc1)(c1ccccc1)P(Cl)Cl.
What is the InChIKey of dichlorophosphanyl-diphenyl-propylphosphanium?
The InChIKey is HDAGPVDLHDBJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2P2/c1-2-13-19(18(16)17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3/q+1.
What are the key properties of dichlorophosphanyl-diphenyl-propylphosphanium?
dichlorophosphanyl-diphenyl-propylphosphanium has a molecular weight of 330.16 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorophosphanyl-diphenyl-propylphosphanium is sourced from PubChem (CID 175287406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).