1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone

C13H16O3 — CID 105475536

IUPAC1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(C2(O)CCOCC2)c1
InChIInChI=1S/C13H16O3/c1-10(14)11-3-2-4-12(9-11)13(15)5-7-16-8-6-13/h2-4,9,15H,5-8H2,1H3
InChIKeySJYIYZLDVOBVIM-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.89
Rot. Bonds2

About 1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone

1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone (PubChem CID 105475536) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone
PubChem CID105475536
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(C2(O)CCOCC2)c1
InChIInChI=1S/C13H16O3/c1-10(14)11-3-2-4-12(9-11)13(15)5-7-16-8-6-13/h2-4,9,15H,5-8H2,1H3
InChIKeySJYIYZLDVOBVIM-UHFFFAOYSA-N
XLogP1.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone (CID 105475536) is 1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone is CC(=O)c1cccc(C2(O)CCOCC2)c1.
What is the InChIKey of 1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone?
The InChIKey is SJYIYZLDVOBVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(14)11-3-2-4-12(9-11)13(15)5-7-16-8-6-13/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone?
1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone has a molecular weight of 220.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxyoxan-4-yl)phenyl]ethanone is sourced from PubChem (CID 105475536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).