(2,6-dichlorophenyl)methyl-triphenylphosphanium chloride

C25H20Cl3P — CID 57370833

IUPAC(2,6-dichlorophenyl)methyl-triphenylphosphanium chloride
SMILESClc1cccc(Cl)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C25H20Cl2P.ClH/c26-24-17-10-18-25(27)23(24)19-28(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1-18H,19H2;1H/q+1;/p-1
InChIKeyNBWPWZJEEQWREI-UHFFFAOYSA-M
MW457.77 g/mol
LogP3.49
Rot. Bonds5

About (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride

(2,6-dichlorophenyl)methyl-triphenylphosphanium chloride (PubChem CID 57370833) has the molecular formula C25H20Cl3P and a molecular weight of 457.77 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl-triphenylphosphanium chloride
PubChem CID57370833
Molecular FormulaC25H20Cl3P
Molecular Weight457.77 g/mol
Exact Mass456.04
IUPAC Name(2,6-dichlorophenyl)methyl-triphenylphosphanium chloride
SMILESClc1cccc(Cl)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C25H20Cl2P.ClH/c26-24-17-10-18-25(27)23(24)19-28(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1-18H,19H2;1H/q+1;/p-1
InChIKeyNBWPWZJEEQWREI-UHFFFAOYSA-M
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.77
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride?
The IUPAC name of (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride (CID 57370833) is (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride.
What is the SMILES notation for (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride?
The canonical SMILES for (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride is Clc1cccc(Cl)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride?
The InChIKey is NBWPWZJEEQWREI-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H20Cl2P.ClH/c26-24-17-10-18-25(27)23(24)19-28(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1-18H,19H2;1H/q+1;/p-1.
What are the key properties of (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride?
(2,6-dichlorophenyl)methyl-triphenylphosphanium chloride has a molecular weight of 457.77 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl-triphenylphosphanium chloride is sourced from PubChem (CID 57370833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).