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ScientificNameLabel
Cannabidiol monomethyl
PHCD compound ID : 3484
Chemical Names :
Cannabidiol monomethyl
Molecular Formula : C22H32O2
Molecular Weight : 328.24023
More Details :
Names & Synonyms: 2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-3-methoxy-5-pentyl-phenol , 3-methoxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-5-pentylphenol , 3-methoxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol , 3-methoxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-5-pentyl-phenol , 5-amyl-2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-3-methoxy-phenol
Smiles: CCCCCc1cc(O)c(c(c1)OC)[C@@H]1C=C(C)CC[C@H]1C(=C)C
InChi : InChI=1S/C22H32O2/c1-6-7-8-9-17-13-20(23)22(21(14-17)24-5)19-12-16(4)10-11-18(19)15(2)3/h12-14,18-19,23H,2,6-11H2,1,3-5H3/t18-,19+/m0/s1
InChi Key : InChIKey=IPGGELGANIXRSX-RBUKOAKNSA-N
PubChem ID : 164905
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.749601
Hydrogen bond donor count : 1 Electric dipole moment : 1.112
XLogP : 6.479 VDW volume : 357.853363
Molecular weight : 328.24023 HOMO-LUMO gap : 9.161000
Herb list :
Refrences & Litretures:
  
489.      Journal:'Life Sciences'      Year:'2005'      Volume:'78'      Page:'539'      DOI:'10.1016/j.lfs.2005.09.011'      Title:'Chemical constituents of marijuana: The complex mixture of natural cannabinoids'
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