diphenylphosphinic acid

C12H11O2P — CID 15567

IUPACdiphenylphosphinic acid
SMILESO=P(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChIKeyBEQVQKJCLJBTKZ-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.91
Rot. Bonds2

About diphenylphosphinic acid

diphenylphosphinic acid (PubChem CID 15567) has the molecular formula C12H11O2P and a molecular weight of 218.19 g/mol. Its IUPAC name is diphenylphosphinic acid.

Molecular Properties

Compound Namediphenylphosphinic acid
PubChem CID15567
Molecular FormulaC12H11O2P
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Namediphenylphosphinic acid
SMILESO=P(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChIKeyBEQVQKJCLJBTKZ-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.91
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 diphenylphosphinic acid?
The IUPAC name of diphenylphosphinic acid (CID 15567) is diphenylphosphinic acid.
What is the SMILES notation for diphenylphosphinic acid?
The canonical SMILES for diphenylphosphinic acid is O=P(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphinic acid?
The InChIKey is BEQVQKJCLJBTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14).
What are the key properties of diphenylphosphinic acid?
diphenylphosphinic acid has a molecular weight of 218.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphinic acid is sourced from PubChem (CID 15567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).