9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one

C15H14O3 — CID 43883187

IUPAC9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C(c1ccccc1)C1C2CC3OC(=O)C1C3C2
InChIInChI=1S/C15H14O3/c16-14(8-4-2-1-3-5-8)12-9-6-10-11(7-9)18-15(17)13(10)12/h1-5,9-13H,6-7H2
InChIKeyTYIAFXPYIXTPJH-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.07
Rot. Bonds2

About 9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one

9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 43883187) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID43883187
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C(c1ccccc1)C1C2CC3OC(=O)C1C3C2
InChIInChI=1S/C15H14O3/c16-14(8-4-2-1-3-5-8)12-9-6-10-11(7-9)18-15(17)13(10)12/h1-5,9-13H,6-7H2
InChIKeyTYIAFXPYIXTPJH-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one (CID 43883187) is 9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one is O=C(c1ccccc1)C1C2CC3OC(=O)C1C3C2.
What is the InChIKey of 9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is TYIAFXPYIXTPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-14(8-4-2-1-3-5-8)12-9-6-10-11(7-9)18-15(17)13(10)12/h1-5,9-13H,6-7H2.
What are the key properties of 9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 242.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzoyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 43883187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).