chloro-ethyl-diphenylphosphanium

C14H15ClP+ — CID 15830242

IUPACchloro-ethyl-diphenylphosphanium
SMILESCC[P+](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15ClP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3/q+1
InChIKeyZAMQZBDDTCGOLU-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.83
Rot. Bonds3

About chloro-ethyl-diphenylphosphanium

chloro-ethyl-diphenylphosphanium (PubChem CID 15830242) has the molecular formula C14H15ClP+ and a molecular weight of 249.70 g/mol. Its IUPAC name is chloro-ethyl-diphenylphosphanium.

Molecular Properties

Compound Namechloro-ethyl-diphenylphosphanium
PubChem CID15830242
Molecular FormulaC14H15ClP+
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Namechloro-ethyl-diphenylphosphanium
SMILESCC[P+](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15ClP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3/q+1
InChIKeyZAMQZBDDTCGOLU-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-ethyl-diphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl(diphenyl)phosphanium hydroxide
CID 18407746
triethyl(phenyl)phosphanium chloride
CID 21464749
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
ethenyl-ethyl-diphenylphosphanium
CID 175448312
CID 172998208
CID 172998208
1-bromopropyl(triphenyl)phosphanium
CID 22011137
[(2S)-butan-2-yl]-triphenylphosphanium
CID 98044399
tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
CID 174751810
methyl-phenyl-dipropylphosphanium
CID 70584071
ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
CID 174900337
ethyl-methyl-phenyl-propylphosphanium
CID 2785204

Frequently Asked Questions

What is the IUPAC name of chloro-ethyl-diphenylphosphanium?
The IUPAC name of chloro-ethyl-diphenylphosphanium (CID 15830242) is chloro-ethyl-diphenylphosphanium.
What is the SMILES notation for chloro-ethyl-diphenylphosphanium?
The canonical SMILES for chloro-ethyl-diphenylphosphanium is CC[P+](Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-ethyl-diphenylphosphanium?
The InChIKey is ZAMQZBDDTCGOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3/q+1.
What are the key properties of chloro-ethyl-diphenylphosphanium?
chloro-ethyl-diphenylphosphanium has a molecular weight of 249.70 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethyl-diphenylphosphanium is sourced from PubChem (CID 15830242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).