(4-chlorophenyl)methyl-triphenylphosphanium chloride

C25H21Cl2P — CID 2733546

IUPAC(4-chlorophenyl)methyl-triphenylphosphanium chloride
SMILESClc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChIKeyRAHOAHBOOHXRDY-UHFFFAOYSA-M
MW423.32 g/mol
LogP2.84
Rot. Bonds5

About (4-chlorophenyl)methyl-triphenylphosphanium chloride

(4-chlorophenyl)methyl-triphenylphosphanium chloride (PubChem CID 2733546) has the molecular formula C25H21Cl2P and a molecular weight of 423.32 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-triphenylphosphanium chloride
PubChem CID2733546
Molecular FormulaC25H21Cl2P
Molecular Weight423.32 g/mol
Exact Mass422.08
IUPAC Name(4-chlorophenyl)methyl-triphenylphosphanium chloride
SMILESClc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChIKeyRAHOAHBOOHXRDY-UHFFFAOYSA-M
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 52.84
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 (4-chlorophenyl)methyl-triphenylphosphanium chloride?
The IUPAC name of (4-chlorophenyl)methyl-triphenylphosphanium chloride (CID 2733546) is (4-chlorophenyl)methyl-triphenylphosphanium chloride.
What is the SMILES notation for (4-chlorophenyl)methyl-triphenylphosphanium chloride?
The canonical SMILES for (4-chlorophenyl)methyl-triphenylphosphanium chloride is Clc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-].
What is the InChIKey of (4-chlorophenyl)methyl-triphenylphosphanium chloride?
The InChIKey is RAHOAHBOOHXRDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1.
What are the key properties of (4-chlorophenyl)methyl-triphenylphosphanium chloride?
(4-chlorophenyl)methyl-triphenylphosphanium chloride has a molecular weight of 423.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-triphenylphosphanium chloride is sourced from PubChem (CID 2733546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).