2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one

C13H17O2P — CID 550518

IUPAC2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one
SMILESCC1CP(=O)(c2ccccc2)C(C)CC1=O
InChIInChI=1S/C13H17O2P/c1-10-9-16(15,11(2)8-13(10)14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyQEYLIZRHTPFMRZ-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.67
Rot. Bonds1

About 2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one

2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one (PubChem CID 550518) has the molecular formula C13H17O2P and a molecular weight of 236.25 g/mol. Its IUPAC name is 2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one.

Molecular Properties

Compound Name2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one
PubChem CID550518
Molecular FormulaC13H17O2P
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one
SMILESCC1CP(=O)(c2ccccc2)C(C)CC1=O
InChIInChI=1S/C13H17O2P/c1-10-9-16(15,11(2)8-13(10)14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyQEYLIZRHTPFMRZ-UHFFFAOYSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.67
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

4-Phosphorinanone, 2,2,6,6-tetramethyl-1-phenyl-
CID 4130459
2,2-Dimethyl-1-phenyl-1-thioxo-phosphinan-4-one
CID 619886
1-Phenyl-4-phosphorinanone
CID 4460416
4-(Diphenylphosphoryl)butan-2-one
CID 13077867
3-(Diphenylphosphoryl)butan-2-one
CID 15579718
1-Tert-butyl-1-oxo-5-phenyl-2,6-dihydro-1lambda5-phosphinin-3-one
CID 12460522
2,5-Dimethyl-1-phenyl-1-sulfanylidene-1lambda~5~-phosphinan-4-one
CID 12590769
1-Phenyl-3,5-dimethylphosphorinan--4-one
CID 73823511
4-[Benzyl(phenyl)phosphoryl]-4-methylpentan-2-one
CID 91699389
1-(Diphenylphosphoryl)propan-2-one
CID 2424133
Dibenzyl(2-methyl-4-oxopent-2-yl)phosphine oxide
CID 129748979
(2-Methyl-4-oxopent-2-yl)diphenylphosphine oxide
CID 129749396

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one?
The IUPAC name of 2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one (CID 550518) is 2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one.
What is the SMILES notation for 2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one?
The canonical SMILES for 2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one is CC1CP(=O)(c2ccccc2)C(C)CC1=O.
What is the InChIKey of 2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one?
The InChIKey is QEYLIZRHTPFMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O2P/c1-10-9-16(15,11(2)8-13(10)14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one?
2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one has a molecular weight of 236.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-oxo-1-phenyl-1lambda5-phosphinan-4-one is sourced from PubChem (CID 550518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).