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Phenol,2,6-bis(1,1-dimethylethyl)-4-methyl
PHCD compound ID : 3984
Chemical Names :
Phenol,2,6-bis(1,1-dimethylethyl)-4-methyl
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
InChi : InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
InChi Key : InChIKey=NLZUEZXRPGMBCV-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.483427
Hydrogen bond donor count : 1 Electric dipole moment : 1.604
XLogP : 4.46 VDW volume : 245.62062
Molecular weight : 220.182715 HOMO-LUMO gap : 8.904000
Herb list :
Refrences & Litretures:
  
546.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'1096'      DOI:'10.1016/j.foodchem.2006.06.047'      Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
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