bromomethyl(triphenyl)phosphanium bromide

C19H17Br2P — CID 2733422

IUPACbromomethyl(triphenyl)phosphanium bromide
SMILESBrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C19H17BrP.BrH/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;1H/q+1;/p-1
InChIKeyYFTMLUSIDVFTKU-UHFFFAOYSA-M
MW436.13 g/mol
LogP1.34
Rot. Bonds4

About bromomethyl(triphenyl)phosphanium bromide

bromomethyl(triphenyl)phosphanium bromide (PubChem CID 2733422) has the molecular formula C19H17Br2P and a molecular weight of 436.13 g/mol. Its IUPAC name is bromomethyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namebromomethyl(triphenyl)phosphanium bromide
PubChem CID2733422
Molecular FormulaC19H17Br2P
Molecular Weight436.13 g/mol
Exact Mass433.94
IUPAC Namebromomethyl(triphenyl)phosphanium bromide
SMILESBrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C19H17BrP.BrH/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;1H/q+1;/p-1
InChIKeyYFTMLUSIDVFTKU-UHFFFAOYSA-M
XLogP1.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.13
LogP ≤ 51.34
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 bromide?
The IUPAC name of bromomethyl(triphenyl)phosphanium bromide (CID 2733422) is bromomethyl(triphenyl)phosphanium bromide.
What is the SMILES notation for bromomethyl(triphenyl)phosphanium bromide?
The canonical SMILES for bromomethyl(triphenyl)phosphanium bromide is BrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of bromomethyl(triphenyl)phosphanium bromide?
The InChIKey is YFTMLUSIDVFTKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17BrP.BrH/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;1H/q+1;/p-1.
What are the key properties of bromomethyl(triphenyl)phosphanium bromide?
bromomethyl(triphenyl)phosphanium bromide has a molecular weight of 436.13 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 2733422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).