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ScientificNameLabel
beta-Phenylethyl salicylate
PHCD compound ID : 5736
Chemical Names :
beta-Phenylethyl salicylate
Molecular Formula : C15H14O3
Molecular Weight : 242.094294
More Details :
Names & Synonyms: 2-phenylethyl 2-hydroxybenzoate , 2-hydroxybenzoic acid 2-phenylethyl ester , 2-phenylethyl 2-oxidanylbenzoate , 2-hydroxybenzoic acid phenethyl ester
Smiles: O=C(c1ccccc1O)OCCc1ccccc1
InChi : InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChi Key : InChIKey=YNMSDIQQNIRGDP-UHFFFAOYSA-N
PubChem ID : 62332
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.491871
Hydrogen bond donor count : 1 Electric dipole moment : 2.719
XLogP : 2.901 VDW volume : 229.39878
Molecular weight : 242.094294 HOMO-LUMO gap : 9.074000
Herb list :
Refrences & Litretures:
  
975.      Journal:'Flavour Fragr. J'      Year:'1998'      Volume:'13'      Page:'373'      DOI:'10.1002/(SICI)1099-1026(199811/12)13:6<373::AID-FFJ749>3.0.CO;2-G'      Title:'Constituents of the essential oil of Solidago virgaurea L'
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