butyl-(2-iodophenyl)-diphenylphosphanium

C22H23IP+ — CID 160745725

IUPACbutyl-(2-iodophenyl)-diphenylphosphanium
SMILESCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1I
InChIInChI=1S/C22H23IP/c1-2-3-18-24(19-12-6-4-7-13-19,20-14-8-5-9-15-20)22-17-11-10-16-21(22)23/h4-17H,2-3,18H2,1H3/q+1
InChIKeyRWEAFPJTCYSLSI-UHFFFAOYSA-N
MW445.30 g/mol
LogP5.39
Rot. Bonds6

About butyl-(2-iodophenyl)-diphenylphosphanium

butyl-(2-iodophenyl)-diphenylphosphanium (PubChem CID 160745725) has the molecular formula C22H23IP+ and a molecular weight of 445.30 g/mol. Its IUPAC name is butyl-(2-iodophenyl)-diphenylphosphanium.

Molecular Properties

Compound Namebutyl-(2-iodophenyl)-diphenylphosphanium
PubChem CID160745725
Molecular FormulaC22H23IP+
Molecular Weight445.30 g/mol
Exact Mass445.06
IUPAC Namebutyl-(2-iodophenyl)-diphenylphosphanium
SMILESCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1I
InChIInChI=1S/C22H23IP/c1-2-3-18-24(19-12-6-4-7-13-19,20-14-8-5-9-15-20)22-17-11-10-16-21(22)23/h4-17H,2-3,18H2,1H3/q+1
InChIKeyRWEAFPJTCYSLSI-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.30
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butyl-(2-iodophenyl)-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

butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
(2-butylphenyl)-diphenyl-propylphosphanium
CID 174142547
butyl-(2-morpholin-4-ylphenyl)-diphenylphosphanium
CID 159856873
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990

Frequently Asked Questions

What is the IUPAC name of butyl-(2-iodophenyl)-diphenylphosphanium?
The IUPAC name of butyl-(2-iodophenyl)-diphenylphosphanium (CID 160745725) is butyl-(2-iodophenyl)-diphenylphosphanium.
What is the SMILES notation for butyl-(2-iodophenyl)-diphenylphosphanium?
The canonical SMILES for butyl-(2-iodophenyl)-diphenylphosphanium is CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1I.
What is the InChIKey of butyl-(2-iodophenyl)-diphenylphosphanium?
The InChIKey is RWEAFPJTCYSLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23IP/c1-2-3-18-24(19-12-6-4-7-13-19,20-14-8-5-9-15-20)22-17-11-10-16-21(22)23/h4-17H,2-3,18H2,1H3/q+1.
What are the key properties of butyl-(2-iodophenyl)-diphenylphosphanium?
butyl-(2-iodophenyl)-diphenylphosphanium has a molecular weight of 445.30 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-iodophenyl)-diphenylphosphanium is sourced from PubChem (CID 160745725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).