2-(triphenyl-λ5-phosphanylidene)acetic acid

C20H17O2P — CID 10870911

IUPAC2-(triphenyl-λ5-phosphanylidene)acetic acid
SMILESO=C(O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17O2P/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H,21,22)
InChIKeyPHGLYQGVAGLHTN-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.87
Rot. Bonds4

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

2-(triphenyl-λ5-phosphanylidene)acetic acid (PubChem CID 10870911) has the molecular formula C20H17O2P and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-(triphenyl-λ5-phosphanylidene)acetic acid.

Molecular Properties

Compound Name2-(triphenyl-λ5-phosphanylidene)acetic acid
PubChem CID10870911
Molecular FormulaC20H17O2P
Molecular Weight320.33 g/mol
Exact Mass320.10
IUPAC Name2-(triphenyl-λ5-phosphanylidene)acetic acid
SMILESO=C(O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17O2P/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H,21,22)
InChIKeyPHGLYQGVAGLHTN-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.87
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-(triphenyl-λ5-phosphanylidene)acetic acid?
The IUPAC name of 2-(triphenyl-λ5-phosphanylidene)acetic acid (CID 10870911) is 2-(triphenyl-λ5-phosphanylidene)acetic acid.
What is the SMILES notation for 2-(triphenyl-λ5-phosphanylidene)acetic acid?
The canonical SMILES for 2-(triphenyl-λ5-phosphanylidene)acetic acid is O=C(O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(triphenyl-λ5-phosphanylidene)acetic acid?
The InChIKey is PHGLYQGVAGLHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17O2P/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H,21,22).
What are the key properties of 2-(triphenyl-λ5-phosphanylidene)acetic acid?
2-(triphenyl-λ5-phosphanylidene)acetic acid has a molecular weight of 320.33 g/mol, XLogP of 2.87, 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)acetic acid is sourced from PubChem (CID 10870911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).