(4-chlorophenyl)methyl-triphenylphosphanium perchlorate

C25H21Cl2O4P — CID 71389118

IUPAC(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
SMILESClc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H21ClP.ClHO4/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;2-1(3,4)5/h1-19H,20H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyUBQURETXPDTFSY-UHFFFAOYSA-M
MW487.32 g/mol
LogP1.08
Rot. Bonds5

About (4-chlorophenyl)methyl-triphenylphosphanium perchlorate

(4-chlorophenyl)methyl-triphenylphosphanium perchlorate (PubChem CID 71389118) has the molecular formula C25H21Cl2O4P and a molecular weight of 487.32 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-triphenylphosphanium perchlorate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
PubChem CID71389118
Molecular FormulaC25H21Cl2O4P
Molecular Weight487.32 g/mol
Exact Mass486.06
IUPAC Name(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
SMILESClc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H21ClP.ClHO4/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;2-1(3,4)5/h1-19H,20H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyUBQURETXPDTFSY-UHFFFAOYSA-M
XLogP1.08
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.32
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)methyl-triphenylphosphanium perchlorate 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

bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511
(3,4-difluorophenyl)methyl-triphenylphosphanium bromide
CID 10790485
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
CID 90305713
[2-chloro-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium
CID 102469105
[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium
CID 132542561
benzyl(triphenyl)phosphanium;N,N-diphenylaniline
CID 174624401
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
triphenyl-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethyl]phosphanium;triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 162256436
triphenyl-[[4-(piperidin-1-ylmethyl)phenyl]methyl]phosphanium bromide
CID 22990018
triphenyl-[[4-(4-phenylbuta-1,3-diynyl)phenyl]methyl]phosphanium iodide
CID 154730921

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-triphenylphosphanium perchlorate?
The IUPAC name of (4-chlorophenyl)methyl-triphenylphosphanium perchlorate (CID 71389118) is (4-chlorophenyl)methyl-triphenylphosphanium perchlorate.
What is the SMILES notation for (4-chlorophenyl)methyl-triphenylphosphanium perchlorate?
The canonical SMILES for (4-chlorophenyl)methyl-triphenylphosphanium perchlorate is Clc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (4-chlorophenyl)methyl-triphenylphosphanium perchlorate?
The InChIKey is UBQURETXPDTFSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H21ClP.ClHO4/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;2-1(3,4)5/h1-19H,20H2;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of (4-chlorophenyl)methyl-triphenylphosphanium perchlorate?
(4-chlorophenyl)methyl-triphenylphosphanium perchlorate has a molecular weight of 487.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-triphenylphosphanium perchlorate is sourced from PubChem (CID 71389118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).