2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid

C23H21O2P — CID 87257765

IUPAC2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid
SMILESC=CCC(C(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21O2P/c1-2-12-22(23(24)25)26(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-11,13-18H,1,12H2,(H,24,25)
InChIKeyUSDFOVKGRGUTIL-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.81
Rot. Bonds6

About 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid

2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid (PubChem CID 87257765) has the molecular formula C23H21O2P and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid.

Molecular Properties

Compound Name2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid
PubChem CID87257765
Molecular FormulaC23H21O2P
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid
SMILESC=CCC(C(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21O2P/c1-2-12-22(23(24)25)26(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-11,13-18H,1,12H2,(H,24,25)
InChIKeyUSDFOVKGRGUTIL-UHFFFAOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid?
The IUPAC name of 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid (CID 87257765) is 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid.
What is the SMILES notation for 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid?
The canonical SMILES for 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid is C=CCC(C(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid?
The InChIKey is USDFOVKGRGUTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21O2P/c1-2-12-22(23(24)25)26(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-11,13-18H,1,12H2,(H,24,25).
What are the key properties of 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid?
2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid has a molecular weight of 360.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid is sourced from PubChem (CID 87257765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).