triethyl-(4-methylphenyl)phosphanium iodide

C13H22IP — CID 3048369

IUPACtriethyl-(4-methylphenyl)phosphanium iodide
SMILESCC[P+](CC)(CC)c1ccc(C)cc1.[I-]
InChIInChI=1S/C13H22P.HI/c1-5-14(6-2,7-3)13-10-8-12(4)9-11-13;/h8-11H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyWVSOTNPBAFLTRM-UHFFFAOYSA-M
MW336.20 g/mol
LogP0.70
Rot. Bonds4

About triethyl-(4-methylphenyl)phosphanium iodide

triethyl-(4-methylphenyl)phosphanium iodide (PubChem CID 3048369) has the molecular formula C13H22IP and a molecular weight of 336.20 g/mol. Its IUPAC name is triethyl-(4-methylphenyl)phosphanium iodide.

Molecular Properties

Compound Nametriethyl-(4-methylphenyl)phosphanium iodide
PubChem CID3048369
Molecular FormulaC13H22IP
Molecular Weight336.20 g/mol
Exact Mass336.05
IUPAC Nametriethyl-(4-methylphenyl)phosphanium iodide
SMILESCC[P+](CC)(CC)c1ccc(C)cc1.[I-]
InChIInChI=1S/C13H22P.HI/c1-5-14(6-2,7-3)13-10-8-12(4)9-11-13;/h8-11H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyWVSOTNPBAFLTRM-UHFFFAOYSA-M
XLogP0.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 50.70
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 triethyl-(4-methylphenyl)phosphanium iodide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl-(4-methylphenyl)phosphanium iodide?
The IUPAC name of triethyl-(4-methylphenyl)phosphanium iodide (CID 3048369) is triethyl-(4-methylphenyl)phosphanium iodide.
What is the SMILES notation for triethyl-(4-methylphenyl)phosphanium iodide?
The canonical SMILES for triethyl-(4-methylphenyl)phosphanium iodide is CC[P+](CC)(CC)c1ccc(C)cc1.[I-].
What is the InChIKey of triethyl-(4-methylphenyl)phosphanium iodide?
The InChIKey is WVSOTNPBAFLTRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H22P.HI/c1-5-14(6-2,7-3)13-10-8-12(4)9-11-13;/h8-11H,5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl-(4-methylphenyl)phosphanium iodide?
triethyl-(4-methylphenyl)phosphanium iodide has a molecular weight of 336.20 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(4-methylphenyl)phosphanium iodide is sourced from PubChem (CID 3048369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).