[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride

C26H23Cl2P — CID 19744545

IUPAC[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride
SMILESClCc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Cl-]
InChIInChI=1S/C26H23ClP.ClH/c27-20-22-11-10-12-23(19-22)21-28(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;/h1-19H,20-21H2;1H/q+1;/p-1
InChIKeyFJVPYAABGDJECL-UHFFFAOYSA-M
MW437.35 g/mol
LogP2.92
Rot. Bonds6

About [3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride

[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride (PubChem CID 19744545) has the molecular formula C26H23Cl2P and a molecular weight of 437.35 g/mol. Its IUPAC name is [3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride
PubChem CID19744545
Molecular FormulaC26H23Cl2P
Molecular Weight437.35 g/mol
Exact Mass436.09
IUPAC Name[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride
SMILESClCc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Cl-]
InChIInChI=1S/C26H23ClP.ClH/c27-20-22-11-10-12-23(19-22)21-28(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;/h1-19H,20-21H2;1H/q+1;/p-1
InChIKeyFJVPYAABGDJECL-UHFFFAOYSA-M
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide
CID 45043532
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
(3-ethenylphenyl)methyl-triphenylphosphanium
CID 22627875
triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
CID 11114323
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
(3-methylsulfinylphenyl)methyl-triphenylphosphanium
CID 139734572
[2-chloro-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium
CID 102469105
[3-(2-methoxy-2-oxoethyl)phenyl]methyl-triphenylphosphanium bromide
CID 88721522
benzyl(triphenyl)phosphanium phenoxide
CID 18469640

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride?
The IUPAC name of [3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride (CID 19744545) is [3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride.
What is the SMILES notation for [3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride?
The canonical SMILES for [3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride is ClCc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Cl-].
What is the InChIKey of [3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride?
The InChIKey is FJVPYAABGDJECL-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H23ClP.ClH/c27-20-22-11-10-12-23(19-22)21-28(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26;/h1-19H,20-21H2;1H/q+1;/p-1.
What are the key properties of [3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride?
[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride has a molecular weight of 437.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride is sourced from PubChem (CID 19744545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).