Chemical Compound

DTXSID10539952

CAS Registry Number2999-14-6
DTXSID10539952 chemical structure
Primary record

DTXSID10539952

CAS
2999-14-6
PubChem CID
13411717
SMILES
CC(C)CCC(=O)C1=C(C=C(C=C1O)O)O
Molecular Formula
C12H16O4
Molecular Weight
224.256
Exact Mass
224.1049
InChI
InChI=1S/C12H16O4/c1-7(2)3-4-9(14)12-10(15)5-8(13)6-11(12)16/h5-7,13,15-16H,3-4H2,1-2H3
InChIKey
PEBKHJATUNSSSS-UHFFFAOYSA-N
LogP
2.4223
TPSA
77.76

Names and synonyms

  • RefChem:294081
  • DTXSID10539952
  • SCHEMBL9752733
  • CHEMBL5646845
  • CTK0I4360
  • DTXCID90490739
  • 4-Methyl-1-(2,4,6-trihydroxyphenyl)pentan-1-one
  • 2999-14-6
  • 4-methyl-1-(2,4,6-trihydroxyphenyl)-1-pentanone
  • J2.805.027E
  • 1-Pentanone, 4-methyl-1-(2,4,6-trihydroxyphenyl)-
  • 4-methyl-1-(2,4,6-trihydroxy-phenyl)-pentan-1-one
  • gamma,gamma-Dimethyl-2 ,4 ,6 -trihydroxybutyrophenone