(3-chlorophenyl)methyl-triphenylphosphanium

C25H21ClP+ — CID 6332935

IUPAC(3-chlorophenyl)methyl-triphenylphosphanium
SMILESClc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H21ClP/c26-22-12-10-11-21(19-22)20-27(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19H,20H2/q+1
InChIKeyBNKRLUXTZKADDZ-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.83
Rot. Bonds5

About (3-chlorophenyl)methyl-triphenylphosphanium

(3-chlorophenyl)methyl-triphenylphosphanium (PubChem CID 6332935) has the molecular formula C25H21ClP+ and a molecular weight of 387.87 g/mol. Its IUPAC name is (3-chlorophenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(3-chlorophenyl)methyl-triphenylphosphanium
PubChem CID6332935
Molecular FormulaC25H21ClP+
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name(3-chlorophenyl)methyl-triphenylphosphanium
SMILESClc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H21ClP/c26-22-12-10-11-21(19-22)20-27(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19H,20H2/q+1
InChIKeyBNKRLUXTZKADDZ-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.83
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 (3-chlorophenyl)methyl-triphenylphosphanium?
The IUPAC name of (3-chlorophenyl)methyl-triphenylphosphanium (CID 6332935) is (3-chlorophenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (3-chlorophenyl)methyl-triphenylphosphanium?
The canonical SMILES for (3-chlorophenyl)methyl-triphenylphosphanium is Clc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3-chlorophenyl)methyl-triphenylphosphanium?
The InChIKey is BNKRLUXTZKADDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClP/c26-22-12-10-11-21(19-22)20-27(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19H,20H2/q+1.
What are the key properties of (3-chlorophenyl)methyl-triphenylphosphanium?
(3-chlorophenyl)methyl-triphenylphosphanium has a molecular weight of 387.87 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 6332935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).