1-[4-(oxan-4-yloxy)phenyl]ethanone

C13H16O3 — CID 61288786

IUPAC1-[4-(oxan-4-yloxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C13H16O3/c1-10(14)11-2-4-12(5-3-11)16-13-6-8-15-9-7-13/h2-5,13H,6-9H2,1H3
InChIKeyJMQNESXNIBJRFH-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.45
Rot. Bonds3

About 1-[4-(oxan-4-yloxy)phenyl]ethanone

1-[4-(oxan-4-yloxy)phenyl]ethanone (PubChem CID 61288786) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[4-(oxan-4-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(oxan-4-yloxy)phenyl]ethanone
PubChem CID61288786
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-[4-(oxan-4-yloxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C13H16O3/c1-10(14)11-2-4-12(5-3-11)16-13-6-8-15-9-7-13/h2-5,13H,6-9H2,1H3
InChIKeyJMQNESXNIBJRFH-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-4-yloxy)phenyl]ethanone?
The IUPAC name of 1-[4-(oxan-4-yloxy)phenyl]ethanone (CID 61288786) is 1-[4-(oxan-4-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(oxan-4-yloxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(oxan-4-yloxy)phenyl]ethanone is CC(=O)c1ccc(OC2CCOCC2)cc1.
What is the InChIKey of 1-[4-(oxan-4-yloxy)phenyl]ethanone?
The InChIKey is JMQNESXNIBJRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(14)11-2-4-12(5-3-11)16-13-6-8-15-9-7-13/h2-5,13H,6-9H2,1H3.
What are the key properties of 1-[4-(oxan-4-yloxy)phenyl]ethanone?
1-[4-(oxan-4-yloxy)phenyl]ethanone has a molecular weight of 220.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-4-yloxy)phenyl]ethanone is sourced from PubChem (CID 61288786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).