2-hydroxypropyl(triphenyl)phosphanium

C21H22OP+ — CID 500004

IUPAC2-hydroxypropyl(triphenyl)phosphanium
SMILESCC(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/q+1
InChIKeyGWIVKYPOQRMFCN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.36
Rot. Bonds5

About 2-hydroxypropyl(triphenyl)phosphanium

2-hydroxypropyl(triphenyl)phosphanium (PubChem CID 500004) has the molecular formula C21H22OP+ and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-hydroxypropyl(triphenyl)phosphanium.

Molecular Properties

Compound Name2-hydroxypropyl(triphenyl)phosphanium
PubChem CID500004
Molecular FormulaC21H22OP+
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-hydroxypropyl(triphenyl)phosphanium
SMILESCC(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/q+1
InChIKeyGWIVKYPOQRMFCN-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 2-hydroxypropyl(triphenyl)phosphanium?
The IUPAC name of 2-hydroxypropyl(triphenyl)phosphanium (CID 500004) is 2-hydroxypropyl(triphenyl)phosphanium.
What is the SMILES notation for 2-hydroxypropyl(triphenyl)phosphanium?
The canonical SMILES for 2-hydroxypropyl(triphenyl)phosphanium is CC(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxypropyl(triphenyl)phosphanium?
The InChIKey is GWIVKYPOQRMFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/q+1.
What are the key properties of 2-hydroxypropyl(triphenyl)phosphanium?
2-hydroxypropyl(triphenyl)phosphanium has a molecular weight of 321.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl(triphenyl)phosphanium is sourced from PubChem (CID 500004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).