1-oxo-1-phenyl-1λ5-phosphinin-4-one

C11H9O2P — CID 122432827

IUPAC1-oxo-1-phenyl-1λ5-phosphinin-4-one
SMILESO=C1C=CP(=O)(c2ccccc2)C=C1
InChIInChI=1S/C11H9O2P/c12-10-6-8-14(13,9-7-10)11-4-2-1-3-5-11/h1-9H
InChIKeyHXTQPOWPDUVQLW-UHFFFAOYSA-N
MW204.16 g/mol
LogP2.29
Rot. Bonds1

About 1-oxo-1-phenyl-1λ5-phosphinin-4-one

1-oxo-1-phenyl-1λ5-phosphinin-4-one (PubChem CID 122432827) has the molecular formula C11H9O2P and a molecular weight of 204.16 g/mol. Its IUPAC name is 1-oxo-1-phenyl-1λ5-phosphinin-4-one.

Molecular Properties

Compound Name1-oxo-1-phenyl-1λ5-phosphinin-4-one
PubChem CID122432827
Molecular FormulaC11H9O2P
Molecular Weight204.16 g/mol
Exact Mass204.03
IUPAC Name1-oxo-1-phenyl-1λ5-phosphinin-4-one
SMILESO=C1C=CP(=O)(c2ccccc2)C=C1
InChIInChI=1S/C11H9O2P/c12-10-6-8-14(13,9-7-10)11-4-2-1-3-5-11/h1-9H
InChIKeyHXTQPOWPDUVQLW-UHFFFAOYSA-N
XLogP2.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-1-phenyl-1λ5-phosphinin-4-one?
The IUPAC name of 1-oxo-1-phenyl-1λ5-phosphinin-4-one (CID 122432827) is 1-oxo-1-phenyl-1λ5-phosphinin-4-one.
What is the SMILES notation for 1-oxo-1-phenyl-1λ5-phosphinin-4-one?
The canonical SMILES for 1-oxo-1-phenyl-1λ5-phosphinin-4-one is O=C1C=CP(=O)(c2ccccc2)C=C1.
What is the InChIKey of 1-oxo-1-phenyl-1λ5-phosphinin-4-one?
The InChIKey is HXTQPOWPDUVQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9O2P/c12-10-6-8-14(13,9-7-10)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-oxo-1-phenyl-1λ5-phosphinin-4-one?
1-oxo-1-phenyl-1λ5-phosphinin-4-one has a molecular weight of 204.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-1-phenyl-1λ5-phosphinin-4-one is sourced from PubChem (CID 122432827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).