[(2-Methylphenyl)methyl]triphenylphosphonium

HCID 113183

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 18583-36-3
Standard SMILES: Cc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: SOSFPIJMDQEVHN-UHFFFAOYSA-N
Molecular formula: C26H24P+
Average molar mass: 367.4 g/mol

Names & identifiers

Preferred name: [(2-Methylphenyl)methyl]triphenylphosphonium
IUPAC: (2-methylphenyl)methyl-triphenylphosphanium

Names & synonyms

[(2-Methylphenyl)methyl]triphenylphosphoniumQDT4274CYNSCHEMBL5973110CHEMBL3306480Phosphonium, [(2-methylphenyl)methyl]triphenyl-18583-36-3

Database identifiers

CAS: 18583-36-3
PubChem CID: 113183
ChEMBL: CHEMBL3306480
UNII: QDT4274CYN
Nikkaji: J343.008A

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 1
Complexity: 380

Related reactions

1 records

New reaction record

HRID 104667 reaction equation

HRID 104667As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

Loading…