Toxol

Toxol is a toxic organic compound classified as a benzofuran derivative with the molecular formula C₁₃H₁₄O₃.^[1] It is naturally found in plants such as Aplopappus heterophyllus^[2][3] and Werneria ciliolata^[4]. Its IUPAC name is 1-[(2S,3R)-3-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone. This compound is toxic and related chemically to tremetone

Quick facts Names, Identifiers ...

Toxol

Names
Preferred IUPAC name 1-[(2S,3R)-3-Hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-one
Identifiers
CAS Number	26296-56-0 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:9645
ChemSpider	390520
KEGG	C08979
PubChem CID	441948
UNII	YQX3QAA4JL Y
CompTox Dashboard (EPA)	DTXSID70949159
InChI InChI=1S/C13H14O3/c1-7(2)13-12(15)10-6-9(8(3)14)4-5-11(10)16-13/h4-6,12-13,15H,1H2,2-3H3/t12-,13+/m1/s1 Key: KWZYQHQNOWRQRG-OLZOCXBDSA-N InChI=1/C13H14O3/c1-7(2)13-12(15)10-6-9(8(3)14)4-5-11(10)16-13/h4-6,12-13,15H,1H2,2-3H3/t12-,13+/m1/s1 Key: KWZYQHQNOWRQRG-OLZOCXBDBE
SMILES O=C(c2cc1c(O[C@@H](\C(=C)C)[C@@H]1O)cc2)C
Properties
Chemical formula	C13H14O3
Molar mass	218.252 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Close