2-diphenylphosphinoselenoylacetic acid

C14H13O2PSe — CID 58764823

IUPAC2-diphenylphosphinoselenoylacetic acid
SMILESO=C(O)CP(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13O2PSe/c15-14(16)11-17(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKeyKHVPNFCBTBBADM-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.82
Rot. Bonds4

About 2-diphenylphosphinoselenoylacetic acid

2-diphenylphosphinoselenoylacetic acid (PubChem CID 58764823) has the molecular formula C14H13O2PSe and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-diphenylphosphinoselenoylacetic acid.

Molecular Properties

Compound Name2-diphenylphosphinoselenoylacetic acid
PubChem CID58764823
Molecular FormulaC14H13O2PSe
Molecular Weight323.19 g/mol
Exact Mass323.98
IUPAC Name2-diphenylphosphinoselenoylacetic acid
SMILESO=C(O)CP(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13O2PSe/c15-14(16)11-17(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKeyKHVPNFCBTBBADM-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphinoselenoylacetic acid?
The IUPAC name of 2-diphenylphosphinoselenoylacetic acid (CID 58764823) is 2-diphenylphosphinoselenoylacetic acid.
What is the SMILES notation for 2-diphenylphosphinoselenoylacetic acid?
The canonical SMILES for 2-diphenylphosphinoselenoylacetic acid is O=C(O)CP(=[Se])(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphinoselenoylacetic acid?
The InChIKey is KHVPNFCBTBBADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O2PSe/c15-14(16)11-17(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16).
What are the key properties of 2-diphenylphosphinoselenoylacetic acid?
2-diphenylphosphinoselenoylacetic acid has a molecular weight of 323.19 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphinoselenoylacetic acid is sourced from PubChem (CID 58764823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).