bromomethyl(triphenyl)phosphanium

C19H17BrP+ — CID 2733423

IUPACbromomethyl(triphenyl)phosphanium
SMILESBrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17BrP/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/q+1
InChIKeyFKDAUYUOARWXGL-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.33
Rot. Bonds4

About bromomethyl(triphenyl)phosphanium

bromomethyl(triphenyl)phosphanium (PubChem CID 2733423) has the molecular formula C19H17BrP+ and a molecular weight of 356.22 g/mol. Its IUPAC name is bromomethyl(triphenyl)phosphanium.

Molecular Properties

Compound Namebromomethyl(triphenyl)phosphanium
PubChem CID2733423
Molecular FormulaC19H17BrP+
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Namebromomethyl(triphenyl)phosphanium
SMILESBrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17BrP/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/q+1
InChIKeyFKDAUYUOARWXGL-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromomethyl(triphenyl)phosphanium?
The IUPAC name of bromomethyl(triphenyl)phosphanium (CID 2733423) is bromomethyl(triphenyl)phosphanium.
What is the SMILES notation for bromomethyl(triphenyl)phosphanium?
The canonical SMILES for bromomethyl(triphenyl)phosphanium is BrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromomethyl(triphenyl)phosphanium?
The InChIKey is FKDAUYUOARWXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrP/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/q+1.
What are the key properties of bromomethyl(triphenyl)phosphanium?
bromomethyl(triphenyl)phosphanium has a molecular weight of 356.22 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl(triphenyl)phosphanium is sourced from PubChem (CID 2733423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).