dibenzylphosphinic acid

C14H15O2P — CID 561330

IUPACdibenzylphosphinic acid
SMILESO=P(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C14H15O2P/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)
InChIKeyLGMGVCQVPSHUCO-UHFFFAOYSA-N
MW246.25 g/mol
LogP3.66
Rot. Bonds4

About dibenzylphosphinic acid

dibenzylphosphinic acid (PubChem CID 561330) has the molecular formula C14H15O2P and a molecular weight of 246.25 g/mol. Its IUPAC name is dibenzylphosphinic acid.

Molecular Properties

Compound Namedibenzylphosphinic acid
PubChem CID561330
Molecular FormulaC14H15O2P
Molecular Weight246.25 g/mol
Exact Mass246.08
IUPAC Namedibenzylphosphinic acid
SMILESO=P(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C14H15O2P/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)
InChIKeyLGMGVCQVPSHUCO-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 53.66
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 dibenzylphosphinic acid?
The IUPAC name of dibenzylphosphinic acid (CID 561330) is dibenzylphosphinic acid.
What is the SMILES notation for dibenzylphosphinic acid?
The canonical SMILES for dibenzylphosphinic acid is O=P(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzylphosphinic acid?
The InChIKey is LGMGVCQVPSHUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2P/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16).
What are the key properties of dibenzylphosphinic acid?
dibenzylphosphinic acid has a molecular weight of 246.25 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzylphosphinic acid is sourced from PubChem (CID 561330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).