tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride

C21H38ClP — CID 3056479

IUPACtributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride
SMILESCCCC[P+](CCCC)(CCCC)Cc1ccc(C)cc1C.[Cl-]
InChIInChI=1S/C21H38P.ClH/c1-6-9-14-22(15-10-7-2,16-11-8-3)18-21-13-12-19(4)17-20(21)5;/h12-13,17H,6-11,14-16,18H2,1-5H3;1H/q+1;/p-1
InChIKeyQNLYPUWNUUWWCD-UHFFFAOYSA-M
MW356.96 g/mol
LogP4.23
Rot. Bonds11

About tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride

tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride (PubChem CID 3056479) has the molecular formula C21H38ClP and a molecular weight of 356.96 g/mol. Its IUPAC name is tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride.

Molecular Properties

Compound Nametributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride
PubChem CID3056479
Molecular FormulaC21H38ClP
Molecular Weight356.96 g/mol
Exact Mass356.24
IUPAC Nametributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride
SMILESCCCC[P+](CCCC)(CCCC)Cc1ccc(C)cc1C.[Cl-]
InChIInChI=1S/C21H38P.ClH/c1-6-9-14-22(15-10-7-2,16-11-8-3)18-21-13-12-19(4)17-20(21)5;/h12-13,17H,6-11,14-16,18H2,1-5H3;1H/q+1;/p-1
InChIKeyQNLYPUWNUUWWCD-UHFFFAOYSA-M
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.96
LogP ≤ 54.23
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

1-(1-chloropentyl)-2,4-dimethylbenzene
CID 63430265
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane
CID 142361482
tributyl-[[2-(chloromethyl)phenyl]methyl]phosphanium chloride
CID 67656234
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
(3S)-4-(2,4-dimethylphenyl)butane-1,3-diamine
CID 162376806
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
2-(2-bromodecyl)-1,4-dimethylbenzene
CID 65427966

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride?
The IUPAC name of tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride (CID 3056479) is tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride.
What is the SMILES notation for tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride?
The canonical SMILES for tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride is CCCC[P+](CCCC)(CCCC)Cc1ccc(C)cc1C.[Cl-].
What is the InChIKey of tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride?
The InChIKey is QNLYPUWNUUWWCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H38P.ClH/c1-6-9-14-22(15-10-7-2,16-11-8-3)18-21-13-12-19(4)17-20(21)5;/h12-13,17H,6-11,14-16,18H2,1-5H3;1H/q+1;/p-1.
What are the key properties of tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride?
tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride has a molecular weight of 356.96 g/mol, XLogP of 4.23, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride is sourced from PubChem (CID 3056479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).