(2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione

C15H14O3 — CID 59164690

IUPAC(2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1OC(=O)[C@H]2C3CC(C[C@H]3c3ccccc3)[C@@H]12
InChIInChI=1S/C15H14O3/c16-14-12-9-6-10(8-4-2-1-3-5-8)11(7-9)13(12)15(17)18-14/h1-5,9-13H,6-7H2/t9?,10-,11?,12+,13-/m0/s1
InChIKeyQVZKCYULUXLGPJ-TXTTUAKNSA-N
MW242.27 g/mol
LogP2.13
Rot. Bonds1

About (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione

(2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 59164690) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name(2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID59164690
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1OC(=O)[C@H]2C3CC(C[C@H]3c3ccccc3)[C@@H]12
InChIInChI=1S/C15H14O3/c16-14-12-9-6-10(8-4-2-1-3-5-8)11(7-9)13(12)15(17)18-14/h1-5,9-13H,6-7H2/t9?,10-,11?,12+,13-/m0/s1
InChIKeyQVZKCYULUXLGPJ-TXTTUAKNSA-N
XLogP2.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione (CID 59164690) is (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1OC(=O)[C@H]2C3CC(C[C@H]3c3ccccc3)[C@@H]12.
What is the InChIKey of (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is QVZKCYULUXLGPJ-TXTTUAKNSA-N. The full InChI is InChI=1S/C15H14O3/c16-14-12-9-6-10(8-4-2-1-3-5-8)11(7-9)13(12)15(17)18-14/h1-5,9-13H,6-7H2/t9?,10-,11?,12+,13-/m0/s1.
What are the key properties of (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
(2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 242.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 59164690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).