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Phenol-4-(2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-2 -benzofurane
PHCD compound ID : 4591
Chemical Names :
Phenol-4-(2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-2 -benzofurane
Molecular Formula : C19H20O3
Molecular Weight : 296.141245
More Details :
Names & Synonyms:
Smiles: C/C=C/c1cc2c(c(c1)OC)O[C@H]([C@H]2C)c1ccc(cc1)O
InChi : InChI=1S/C19H20O3/c1-4-5-13-10-16-12(2)18(14-6-8-15(20)9-7-14)22-19(16)17(11-13)21-3/h4-12,18,20H,1-3H3/b5-4+/t12-,18+/m0/s1
InChi Key : InChIKey=CWFOGDITMOXAQC-JZIJIAHKSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.214926
Hydrogen bond donor count : 1 Electric dipole moment : 1.895
XLogP : 3.25 VDW volume : 286.22626
Molecular weight : 296.141245 HOMO-LUMO gap : 8.319000
Herb list :
Refrences & Litretures:
  
710.      Journal:'Rev. Latinoamer. Qu?m'      Year:'2007'      Volume:'35'      Page:'47'      DOI:''      Title:'Chemical Constituents of Clove (Syzygium aromaticum, Fam. Myrtaceae) and their Antioxidant Activity'
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