6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

C13H12O2 — CID 13182342

IUPAC6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESO=C1CC2C=C(c3ccccc3)C(C1)O2
InChIInChI=1S/C13H12O2/c14-10-6-11-8-12(13(7-10)15-11)9-4-2-1-3-5-9/h1-5,8,11,13H,6-7H2
InChIKeyBZHLVALCHWUVEH-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.20
Rot. Bonds1

About 6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 13182342) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID13182342
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESO=C1CC2C=C(c3ccccc3)C(C1)O2
InChIInChI=1S/C13H12O2/c14-10-6-11-8-12(13(7-10)15-11)9-4-2-1-3-5-9/h1-5,8,11,13H,6-7H2
InChIKeyBZHLVALCHWUVEH-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of 6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 13182342) is 6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for 6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for 6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is O=C1CC2C=C(c3ccccc3)C(C1)O2.
What is the InChIKey of 6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is BZHLVALCHWUVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-10-6-11-8-12(13(7-10)15-11)9-4-2-1-3-5-9/h1-5,8,11,13H,6-7H2.
What are the key properties of 6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 200.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 13182342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).