2-(triphenyl-λ5-phosphanylidene)propanoic acid

C21H19O2P — CID 13030225

IUPAC2-(triphenyl-λ5-phosphanylidene)propanoic acid
SMILESCC(C(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P/c1-17(21(22)23)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H,22,23)
InChIKeyIMXWOEKQTUITPO-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.26
Rot. Bonds4

About 2-(triphenyl-λ5-phosphanylidene)propanoic acid

2-(triphenyl-λ5-phosphanylidene)propanoic acid (PubChem CID 13030225) has the molecular formula C21H19O2P and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-(triphenyl-λ5-phosphanylidene)propanoic acid.

Molecular Properties

Compound Name2-(triphenyl-λ5-phosphanylidene)propanoic acid
PubChem CID13030225
Molecular FormulaC21H19O2P
Molecular Weight334.36 g/mol
Exact Mass334.11
IUPAC Name2-(triphenyl-λ5-phosphanylidene)propanoic acid
SMILESCC(C(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P/c1-17(21(22)23)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H,22,23)
InChIKeyIMXWOEKQTUITPO-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.26
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

1-phenyl-1-(triphenyl-λ5-phosphanylidene)butane-2,3-dione
CID 134924093
dimethyl 2-(triphenyl-λ5-phosphanylidene)propanedioate
CID 139060105
4-oxo-3-(triphenyl-λ5-phosphanylidene)pentanenitrile
CID 159827333
2-oxopropanoyl cyanide;3-oxo-2-(triphenyl-λ5-phosphanylidene)butanenitrile
CID 91061358
dibromomethylidene(triphenyl)-λ5-phosphane
CID 11122938
bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane
CID 4028958
1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane
CID 621814
3-cyano-2-(triphenyl-λ5-phosphanylidene)propanoic acid
CID 122517879
2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid
CID 87257765
1-(2-hydroxy-3-prop-2-enylphenyl)-2-(triphenyl-λ5-phosphanylidene)propan-1-one
CID 15666668
triphenyl-[(E)-4-phenylbut-3-en-2-ylidene]-lambda5-phosphane
CID 12872259
methyl 2-(triphenyl-λ5-phosphanylidene)butanoate
CID 12696810

Frequently Asked Questions

What is the IUPAC name of 2-(triphenyl-λ5-phosphanylidene)propanoic acid?
The IUPAC name of 2-(triphenyl-λ5-phosphanylidene)propanoic acid (CID 13030225) is 2-(triphenyl-λ5-phosphanylidene)propanoic acid.
What is the SMILES notation for 2-(triphenyl-λ5-phosphanylidene)propanoic acid?
The canonical SMILES for 2-(triphenyl-λ5-phosphanylidene)propanoic acid is CC(C(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(triphenyl-λ5-phosphanylidene)propanoic acid?
The InChIKey is IMXWOEKQTUITPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O2P/c1-17(21(22)23)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H,22,23).
What are the key properties of 2-(triphenyl-λ5-phosphanylidene)propanoic acid?
2-(triphenyl-λ5-phosphanylidene)propanoic acid has a molecular weight of 334.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triphenyl-λ5-phosphanylidene)propanoic acid is sourced from PubChem (CID 13030225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).