3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one

C15H16O3 — CID 2831734

IUPAC3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one
SMILESCC(OC1=CC(=O)CCC1)C(=O)c1ccccc1
InChIInChI=1S/C15H16O3/c1-11(15(17)12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyXQVMTCUBXOWIPO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.91
Rot. Bonds4

About 3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one

3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one (PubChem CID 2831734) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one
PubChem CID2831734
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one
SMILESCC(OC1=CC(=O)CCC1)C(=O)c1ccccc1
InChIInChI=1S/C15H16O3/c1-11(15(17)12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyXQVMTCUBXOWIPO-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one?
The IUPAC name of 3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one (CID 2831734) is 3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one.
What is the SMILES notation for 3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one?
The canonical SMILES for 3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one is CC(OC1=CC(=O)CCC1)C(=O)c1ccccc1.
What is the InChIKey of 3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one?
The InChIKey is XQVMTCUBXOWIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-11(15(17)12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h2-4,6-7,10-11H,5,8-9H2,1H3.
What are the key properties of 3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one?
3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one has a molecular weight of 244.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one is sourced from PubChem (CID 2831734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).