(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one

C23H21O2P — CID 12914054

IUPAC(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one
SMILESO=C1C[C@H](c2ccccc2)P(=O)(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H21O2P/c24-20-16-22(18-10-4-1-5-11-18)26(25,21-14-8-3-9-15-21)23(17-20)19-12-6-2-7-13-19/h1-15,22-23H,16-17H2/t22-,23+,26?
InChIKeyXXQFFTNNKJOESD-XZQOPNAISA-N
MW360.39 g/mol
LogP5.52
Rot. Bonds3

About (2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one

(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one (PubChem CID 12914054) has the molecular formula C23H21O2P and a molecular weight of 360.39 g/mol. Its IUPAC name is (2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one.

Molecular Properties

Compound Name(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one
PubChem CID12914054
Molecular FormulaC23H21O2P
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one
SMILESO=C1C[C@H](c2ccccc2)P(=O)(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H21O2P/c24-20-16-22(18-10-4-1-5-11-18)26(25,21-14-8-3-9-15-21)23(17-20)19-12-6-2-7-13-19/h1-15,22-23H,16-17H2/t22-,23+,26?
InChIKeyXXQFFTNNKJOESD-XZQOPNAISA-N
XLogP5.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,6S)-5,6-dibromo-1-oxo-1-phenyl-1λ5-phosphonane-3,8-dione
CID 23415921
2,6-diphenylphosphinan-4-one
CID 69110592
2,6-diphenyloxan-4-one
CID 500287
(2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide
CID 11581020
(3R)-3-phenylcyclohexan-1-one
CID 11041212
1,2,6-triphenylphosphinan-4-one
CID 12914046
(2R,6R)-1,2,6-triphenylphosphinan-4-one
CID 12914047
1-nitroso-2,6-diphenylpiperidin-4-one
CID 14663661
trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one
CID 13216005
(4S)-7-methyl-2-oxo-2-phenyl-2λ5-phosphabicyclo[2.2.1]heptan-5-one
CID 167093215
trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one
CID 100973232
(2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine
CID 102200223

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one?
The IUPAC name of (2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one (CID 12914054) is (2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one.
What is the SMILES notation for (2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one?
The canonical SMILES for (2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one is O=C1C[C@H](c2ccccc2)P(=O)(c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one?
The InChIKey is XXQFFTNNKJOESD-XZQOPNAISA-N. The full InChI is InChI=1S/C23H21O2P/c24-20-16-22(18-10-4-1-5-11-18)26(25,21-14-8-3-9-15-21)23(17-20)19-12-6-2-7-13-19/h1-15,22-23H,16-17H2/t22-,23+,26?.
What are the key properties of (2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one?
(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one has a molecular weight of 360.39 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one is sourced from PubChem (CID 12914054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).