2-hydroxyethyl(triphenyl)phosphanium bromide

C20H20BrOP — CID 2733550

IUPAC2-hydroxyethyl(triphenyl)phosphanium bromide
SMILESOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H20OP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
InChIKeyQZJOQNHOOVSESC-UHFFFAOYSA-M
MW387.26 g/mol
LogP-0.02
Rot. Bonds5

About 2-hydroxyethyl(triphenyl)phosphanium bromide

2-hydroxyethyl(triphenyl)phosphanium bromide (PubChem CID 2733550) has the molecular formula C20H20BrOP and a molecular weight of 387.26 g/mol. Its IUPAC name is 2-hydroxyethyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name2-hydroxyethyl(triphenyl)phosphanium bromide
PubChem CID2733550
Molecular FormulaC20H20BrOP
Molecular Weight387.26 g/mol
Exact Mass386.04
IUPAC Name2-hydroxyethyl(triphenyl)phosphanium bromide
SMILESOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H20OP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
InChIKeyQZJOQNHOOVSESC-UHFFFAOYSA-M
XLogP-0.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
CID 172743171
hydroxymethyl(triphenyl)phosphanium bromide
CID 18970177
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
CID 139080930
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
chloroplatinum;hydroxymethyl(triphenyl)phosphanium
CID 174615744
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(triphenyl)phosphanium bromide?
The IUPAC name of 2-hydroxyethyl(triphenyl)phosphanium bromide (CID 2733550) is 2-hydroxyethyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 2-hydroxyethyl(triphenyl)phosphanium bromide?
The canonical SMILES for 2-hydroxyethyl(triphenyl)phosphanium bromide is OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 2-hydroxyethyl(triphenyl)phosphanium bromide?
The InChIKey is QZJOQNHOOVSESC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20OP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1.
What are the key properties of 2-hydroxyethyl(triphenyl)phosphanium bromide?
2-hydroxyethyl(triphenyl)phosphanium bromide has a molecular weight of 387.26 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 2733550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).