3-hydroxypropyl(triphenyl)phosphanium

C21H22OP+ — CID 4182722

IUPAC3-hydroxypropyl(triphenyl)phosphanium
SMILESOCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22OP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2/q+1
InChIKeyXRRKQZBQEWXVNV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.36
Rot. Bonds6

About 3-hydroxypropyl(triphenyl)phosphanium

3-hydroxypropyl(triphenyl)phosphanium (PubChem CID 4182722) has the molecular formula C21H22OP+ and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-hydroxypropyl(triphenyl)phosphanium.

Molecular Properties

Compound Name3-hydroxypropyl(triphenyl)phosphanium
PubChem CID4182722
Molecular FormulaC21H22OP+
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name3-hydroxypropyl(triphenyl)phosphanium
SMILESOCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22OP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2/q+1
InChIKeyXRRKQZBQEWXVNV-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl(triphenyl)phosphanium?
The IUPAC name of 3-hydroxypropyl(triphenyl)phosphanium (CID 4182722) is 3-hydroxypropyl(triphenyl)phosphanium.
What is the SMILES notation for 3-hydroxypropyl(triphenyl)phosphanium?
The canonical SMILES for 3-hydroxypropyl(triphenyl)phosphanium is OCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxypropyl(triphenyl)phosphanium?
The InChIKey is XRRKQZBQEWXVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22OP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2/q+1.
What are the key properties of 3-hydroxypropyl(triphenyl)phosphanium?
3-hydroxypropyl(triphenyl)phosphanium has a molecular weight of 321.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl(triphenyl)phosphanium is sourced from PubChem (CID 4182722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).