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1,2-benzenediol,O-(5-chlorovaleryl)-O-(2-methylbenzoyl)
PHCD compound ID : 131
Chemical Names :
1,2-benzenediol,O-(5-chlorovaleryl)-O-(2-methylbenzoyl)
Molecular Formula : C19H19Cl1O4
Molecular Weight : 346.097187
More Details :
Names & Synonyms: [2-(5-chloropentanoyloxy)phenyl] 2-methylbenzoate , 2-methylbenzoic acid [2-(5-chloro-1-oxopentoxy)phenyl] ester , [2-(5-chloranylpentanoyloxy)phenyl] 2-methylbenzoate , 2-methylbenzoic acid [2-(5-chloropentanoyloxy)phenyl] ester
Smiles: ClCCCCC(=O)Oc1ccccc1OC(=O)c1ccccc1C
InChi : InChI=1S/C19H19ClO4/c1-14-8-2-3-9-15(14)19(22)24-17-11-5-4-10-16(17)23-18(21)12-6-7-13-20/h2-5,8-11H,6-7,12-13H2,1H3
InChi Key : InChIKey=BIGGSAKOROGZJQ-UHFFFAOYSA-N
PubChem ID : 91710388
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.327634
Hydrogen bond donor count : 0 Electric dipole moment : 2.644
XLogP : 3.801 VDW volume : 319.947554
Molecular weight : 346.097187 HOMO-LUMO gap : 8.941000
Herb list :
Refrences & Litretures:
  
6.      Journal:'Photochemistry and Photobiology'      Year:'2014'      Volume:'90'      Page:'702'      DOI:'10.1111/php.12229'      Title:'Biochemical Composition and Antioxidant Properties of Lavandula angustifolia Miller Essential Oil are Shielded by Propolis Against UV Radiations'
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