2-hydroxyprop-2-enyl(triphenyl)phosphanium

C21H20OP+ — CID 87987805

IUPAC2-hydroxyprop-2-enyl(triphenyl)phosphanium
SMILESC=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19OP/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/h2-16H,1,17H2/p+1
InChIKeyZDAOOIDCVQDFLK-UHFFFAOYSA-O
MW319.36 g/mol
LogP4.05
Rot. Bonds5

About 2-hydroxyprop-2-enyl(triphenyl)phosphanium

2-hydroxyprop-2-enyl(triphenyl)phosphanium (PubChem CID 87987805) has the molecular formula C21H20OP+ and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-hydroxyprop-2-enyl(triphenyl)phosphanium.

Molecular Properties

Compound Name2-hydroxyprop-2-enyl(triphenyl)phosphanium
PubChem CID87987805
Molecular FormulaC21H20OP+
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-hydroxyprop-2-enyl(triphenyl)phosphanium
SMILESC=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19OP/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/h2-16H,1,17H2/p+1
InChIKeyZDAOOIDCVQDFLK-UHFFFAOYSA-O
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium
CID 58085087
[(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium
CID 144583668
hydroxymethyl(triphenyl)phosphanium bromide
CID 18970177
(3-chloro-2-oxopropyl)-triphenylphosphanium chloride
CID 2773628
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
2-oxopentyl(triphenyl)phosphanium
CID 20542903
triphenyl(2-phenyliminopropyl)phosphanium
CID 23415425
(3,3-dimethyl-2-oxobutyl)-triphenylphosphanium bromide
CID 19850748
(3,3-dicyano-2-methylprop-2-enyl)-triphenylphosphanium
CID 139734338

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enyl(triphenyl)phosphanium?
The IUPAC name of 2-hydroxyprop-2-enyl(triphenyl)phosphanium (CID 87987805) is 2-hydroxyprop-2-enyl(triphenyl)phosphanium.
What is the SMILES notation for 2-hydroxyprop-2-enyl(triphenyl)phosphanium?
The canonical SMILES for 2-hydroxyprop-2-enyl(triphenyl)phosphanium is C=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxyprop-2-enyl(triphenyl)phosphanium?
The InChIKey is ZDAOOIDCVQDFLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H19OP/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/h2-16H,1,17H2/p+1.
What are the key properties of 2-hydroxyprop-2-enyl(triphenyl)phosphanium?
2-hydroxyprop-2-enyl(triphenyl)phosphanium has a molecular weight of 319.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enyl(triphenyl)phosphanium is sourced from PubChem (CID 87987805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).