tributyl-[(2,4-dichlorophenyl)methyl]phosphanium

C19H32Cl2P+ — CID 8287

IUPACtributyl-[(2,4-dichlorophenyl)methyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H32Cl2P/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21/h10-11,15H,4-9,12-14,16H2,1-3H3/q+1
InChIKeyOAGIOQZKOZPWKF-UHFFFAOYSA-N
MW362.35 g/mol
LogP7.91
Rot. Bonds11

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

tributyl-[(2,4-dichlorophenyl)methyl]phosphanium (PubChem CID 8287) has the molecular formula C19H32Cl2P+ and a molecular weight of 362.35 g/mol. Its IUPAC name is tributyl-[(2,4-dichlorophenyl)methyl]phosphanium.

Molecular Properties

Compound Nametributyl-[(2,4-dichlorophenyl)methyl]phosphanium
PubChem CID8287
Molecular FormulaC19H32Cl2P+
Molecular Weight362.35 g/mol
Exact Mass361.16
IUPAC Nametributyl-[(2,4-dichlorophenyl)methyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H32Cl2P/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21/h10-11,15H,4-9,12-14,16H2,1-3H3/q+1
InChIKeyOAGIOQZKOZPWKF-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tributyl-[(2,4-dichlorophenyl)methyl]phosphanium 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

1-(2,4-dichlorophenyl)-4-ethyloctan-2-ol
CID 63410443
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride
CID 21388934
1,4-dichloro-2-(2-methylhexyl)benzene
CID 174519359
2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62529520
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
2-[(2,4-dichlorophenyl)methyl]-N-ethylpentan-1-amine
CID 55196979
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
1-(2,4-dichlorophenyl)-3-ethylpentan-2-ol
CID 65148381
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2,4-dichlorophenyl)methyl]phosphanium?
The IUPAC name of tributyl-[(2,4-dichlorophenyl)methyl]phosphanium (CID 8287) is tributyl-[(2,4-dichlorophenyl)methyl]phosphanium.
What is the SMILES notation for tributyl-[(2,4-dichlorophenyl)methyl]phosphanium?
The canonical SMILES for tributyl-[(2,4-dichlorophenyl)methyl]phosphanium is CCCC[P+](CCCC)(CCCC)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of tributyl-[(2,4-dichlorophenyl)methyl]phosphanium?
The InChIKey is OAGIOQZKOZPWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32Cl2P/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21/h10-11,15H,4-9,12-14,16H2,1-3H3/q+1.
What are the key properties of tributyl-[(2,4-dichlorophenyl)methyl]phosphanium?
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium has a molecular weight of 362.35 g/mol, XLogP of 7.91, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2,4-dichlorophenyl)methyl]phosphanium is sourced from PubChem (CID 8287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).