tributyl-[(4-methylphenyl)methyl]phosphanium chloride

C20H36ClP — CID 19841542

IUPACtributyl-[(4-methylphenyl)methyl]phosphanium chloride
SMILESCCCC[P+](CCCC)(CCCC)Cc1ccc(C)cc1.[Cl-]
InChIInChI=1S/C20H36P.ClH/c1-5-8-15-21(16-9-6-2,17-10-7-3)18-20-13-11-19(4)12-14-20;/h11-14H,5-10,15-18H2,1-4H3;1H/q+1;/p-1
InChIKeyMFEVILWCCWDQPA-UHFFFAOYSA-M
MW342.94 g/mol
LogP3.92
Rot. Bonds11

About tributyl-[(4-methylphenyl)methyl]phosphanium chloride

tributyl-[(4-methylphenyl)methyl]phosphanium chloride (PubChem CID 19841542) has the molecular formula C20H36ClP and a molecular weight of 342.94 g/mol. Its IUPAC name is tributyl-[(4-methylphenyl)methyl]phosphanium chloride.

Molecular Properties

Compound Nametributyl-[(4-methylphenyl)methyl]phosphanium chloride
PubChem CID19841542
Molecular FormulaC20H36ClP
Molecular Weight342.94 g/mol
Exact Mass342.22
IUPAC Nametributyl-[(4-methylphenyl)methyl]phosphanium chloride
SMILESCCCC[P+](CCCC)(CCCC)Cc1ccc(C)cc1.[Cl-]
InChIInChI=1S/C20H36P.ClH/c1-5-8-15-21(16-9-6-2,17-10-7-3)18-20-13-11-19(4)12-14-20;/h11-14H,5-10,15-18H2,1-4H3;1H/q+1;/p-1
InChIKeyMFEVILWCCWDQPA-UHFFFAOYSA-M
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(4-methylphenyl)methyl]phosphanium chloride?
The IUPAC name of tributyl-[(4-methylphenyl)methyl]phosphanium chloride (CID 19841542) is tributyl-[(4-methylphenyl)methyl]phosphanium chloride.
What is the SMILES notation for tributyl-[(4-methylphenyl)methyl]phosphanium chloride?
The canonical SMILES for tributyl-[(4-methylphenyl)methyl]phosphanium chloride is CCCC[P+](CCCC)(CCCC)Cc1ccc(C)cc1.[Cl-].
What is the InChIKey of tributyl-[(4-methylphenyl)methyl]phosphanium chloride?
The InChIKey is MFEVILWCCWDQPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H36P.ClH/c1-5-8-15-21(16-9-6-2,17-10-7-3)18-20-13-11-19(4)12-14-20;/h11-14H,5-10,15-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tributyl-[(4-methylphenyl)methyl]phosphanium chloride?
tributyl-[(4-methylphenyl)methyl]phosphanium chloride has a molecular weight of 342.94 g/mol, XLogP of 3.92, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(4-methylphenyl)methyl]phosphanium chloride is sourced from PubChem (CID 19841542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).