4-carboxybut-3-ynyl(triphenyl)phosphanium

C23H20O2P+ — CID 21425045

IUPAC4-carboxybut-3-ynyl(triphenyl)phosphanium
SMILESO=C(O)C#CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19O2P/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,11,19H2/p+1
InChIKeyFPTFPTIHTFXFSZ-UHFFFAOYSA-O
MW359.39 g/mol
LogP3.46
Rot. Bonds5

About 4-carboxybut-3-ynyl(triphenyl)phosphanium

4-carboxybut-3-ynyl(triphenyl)phosphanium (PubChem CID 21425045) has the molecular formula C23H20O2P+ and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-carboxybut-3-ynyl(triphenyl)phosphanium.

Molecular Properties

Compound Name4-carboxybut-3-ynyl(triphenyl)phosphanium
PubChem CID21425045
Molecular FormulaC23H20O2P+
Molecular Weight359.39 g/mol
Exact Mass359.12
IUPAC Name4-carboxybut-3-ynyl(triphenyl)phosphanium
SMILESO=C(O)C#CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19O2P/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,11,19H2/p+1
InChIKeyFPTFPTIHTFXFSZ-UHFFFAOYSA-O
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
(2-carboxy-2-deuterioethyl)-triphenylphosphanium
CID 139243686
dodeca-3,6-diynyl(triphenyl)phosphanium
CID 10529473
3-triphenylphosphaniumylpropanoate;hydrobromide
CID 131665697
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
[(E)-non-5-en-3-ynyl]-triphenylphosphanium
CID 11476770
2-hydroxyethyl(triphenyl)phosphanium bromide
CID 2733550
(4-carboxy-3,3,4-trimethylpentyl)-triphenylphosphanium
CID 59411838
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440

Frequently Asked Questions

What is the IUPAC name of 4-carboxybut-3-ynyl(triphenyl)phosphanium?
The IUPAC name of 4-carboxybut-3-ynyl(triphenyl)phosphanium (CID 21425045) is 4-carboxybut-3-ynyl(triphenyl)phosphanium.
What is the SMILES notation for 4-carboxybut-3-ynyl(triphenyl)phosphanium?
The canonical SMILES for 4-carboxybut-3-ynyl(triphenyl)phosphanium is O=C(O)C#CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-carboxybut-3-ynyl(triphenyl)phosphanium?
The InChIKey is FPTFPTIHTFXFSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H19O2P/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,11,19H2/p+1.
What are the key properties of 4-carboxybut-3-ynyl(triphenyl)phosphanium?
4-carboxybut-3-ynyl(triphenyl)phosphanium has a molecular weight of 359.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carboxybut-3-ynyl(triphenyl)phosphanium is sourced from PubChem (CID 21425045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).