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ScientificNameLabel
(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
PHCD compound ID : 2927
Chemical Names :
(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
Molecular Formula : C11H12O3
Molecular Weight : 192.078644
More Details :
Names & Synonyms: (E)-4-(4-hydroxy-3-methoxy-phenyl)but-3-en-2-one , (E)-4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one , (E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one , (E)-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
Smiles: COc1cc(/C=C/C(=O)C)ccc1O
InChi : InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
InChi Key : InChIKey=AFWKBSMFXWNGRE-ONEGZZNKSA-N
PubChem ID : 5354238
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.787949
Hydrogen bond donor count : 1 Electric dipole moment : 3.847
XLogP : 1.042 VDW volume : 188.744217
Molecular weight : 192.078644 HOMO-LUMO gap : 8.109000
Herb list :
Refrences & Litretures:
  
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
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