(2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one

C12H15O2P — CID 23280168

IUPAC(2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one
SMILESCCC[C@@H]1OC(=O)C[P@@]1c1ccccc1
InChIInChI=1S/C12H15O2P/c1-2-6-12-14-11(13)9-15(12)10-7-4-3-5-8-10/h3-5,7-8,12H,2,6,9H2,1H3/t12-,15+/m1/s1
InChIKeyGYCHGJCLVWUDOV-DOMZBBRYSA-N
MW222.22 g/mol
LogP2.48
Rot. Bonds3

About (2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one

(2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one (PubChem CID 23280168) has the molecular formula C12H15O2P and a molecular weight of 222.22 g/mol. Its IUPAC name is (2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one.

Molecular Properties

Compound Name(2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one
PubChem CID23280168
Molecular FormulaC12H15O2P
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name(2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one
SMILESCCC[C@@H]1OC(=O)C[P@@]1c1ccccc1
InChIInChI=1S/C12H15O2P/c1-2-6-12-14-11(13)9-15(12)10-7-4-3-5-8-10/h3-5,7-8,12H,2,6,9H2,1H3/t12-,15+/m1/s1
InChIKeyGYCHGJCLVWUDOV-DOMZBBRYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.48
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 (2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one?
The IUPAC name of (2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one (CID 23280168) is (2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one.
What is the SMILES notation for (2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one?
The canonical SMILES for (2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one is CCC[C@@H]1OC(=O)C[P@@]1c1ccccc1.
What is the InChIKey of (2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one?
The InChIKey is GYCHGJCLVWUDOV-DOMZBBRYSA-N. The full InChI is InChI=1S/C12H15O2P/c1-2-6-12-14-11(13)9-15(12)10-7-4-3-5-8-10/h3-5,7-8,12H,2,6,9H2,1H3/t12-,15+/m1/s1.
What are the key properties of (2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one?
(2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one has a molecular weight of 222.22 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-phenyl-2-propyl-1,3-oxaphospholan-5-one is sourced from PubChem (CID 23280168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).