tributyl-[(2-chlorophenyl)methyl]phosphanium chloride

C19H33Cl2P — CID 21388934

IUPACtributyl-[(2-chlorophenyl)methyl]phosphanium chloride
SMILESCCCC[P+](CCCC)(CCCC)Cc1ccccc1Cl.[Cl-]
InChIInChI=1S/C19H33ClP.ClH/c1-4-7-14-21(15-8-5-2,16-9-6-3)17-18-12-10-11-13-19(18)20;/h10-13H,4-9,14-17H2,1-3H3;1H/q+1;/p-1
InChIKeyZJUWUIZNZCFSKI-UHFFFAOYSA-M
MW363.35 g/mol
LogP4.26
Rot. Bonds11

About tributyl-[(2-chlorophenyl)methyl]phosphanium chloride

tributyl-[(2-chlorophenyl)methyl]phosphanium chloride (PubChem CID 21388934) has the molecular formula C19H33Cl2P and a molecular weight of 363.35 g/mol. Its IUPAC name is tributyl-[(2-chlorophenyl)methyl]phosphanium chloride.

Molecular Properties

Compound Nametributyl-[(2-chlorophenyl)methyl]phosphanium chloride
PubChem CID21388934
Molecular FormulaC19H33Cl2P
Molecular Weight363.35 g/mol
Exact Mass362.17
IUPAC Nametributyl-[(2-chlorophenyl)methyl]phosphanium chloride
SMILESCCCC[P+](CCCC)(CCCC)Cc1ccccc1Cl.[Cl-]
InChIInChI=1S/C19H33ClP.ClH/c1-4-7-14-21(15-8-5-2,16-9-6-3)17-18-12-10-11-13-19(18)20;/h10-13H,4-9,14-17H2,1-3H3;1H/q+1;/p-1
InChIKeyZJUWUIZNZCFSKI-UHFFFAOYSA-M
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 54.26
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-chloro-2-(2-chlorohexyl)benzene
CID 63519497
tributyl-[[2-(chloromethyl)phenyl]methyl]phosphanium chloride
CID 67656234
1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
CID 79412787
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
azane;1-butyl-2-chlorobenzene
CID 19011342
N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline
CID 134880054

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2-chlorophenyl)methyl]phosphanium chloride?
The IUPAC name of tributyl-[(2-chlorophenyl)methyl]phosphanium chloride (CID 21388934) is tributyl-[(2-chlorophenyl)methyl]phosphanium chloride.
What is the SMILES notation for tributyl-[(2-chlorophenyl)methyl]phosphanium chloride?
The canonical SMILES for tributyl-[(2-chlorophenyl)methyl]phosphanium chloride is CCCC[P+](CCCC)(CCCC)Cc1ccccc1Cl.[Cl-].
What is the InChIKey of tributyl-[(2-chlorophenyl)methyl]phosphanium chloride?
The InChIKey is ZJUWUIZNZCFSKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H33ClP.ClH/c1-4-7-14-21(15-8-5-2,16-9-6-3)17-18-12-10-11-13-19(18)20;/h10-13H,4-9,14-17H2,1-3H3;1H/q+1;/p-1.
What are the key properties of tributyl-[(2-chlorophenyl)methyl]phosphanium chloride?
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride has a molecular weight of 363.35 g/mol, XLogP of 4.26, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2-chlorophenyl)methyl]phosphanium chloride is sourced from PubChem (CID 21388934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).