| Phytochemical Name : Tremetone |
| PCNDIDT0087 |
| Pubchem CID : 78673 |
| Molecular formula: C13H14O2 |
| Canonical SMILES : CC(=C)C1CC2=C(O1)C=CC(=C2)C(=O)C |
Synonymes : Tremetone|Tremeton|4976-25-4|UNII-451MA27V7H|CHEBI:9656|451MA27V7H|NSC 247531|AI3-44563|Ketone, 2,3-dihydro-2-isopropenyl-5-benzofuranyl methyl|Ethanone, 1-(2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl)-, (R)-|AC1L2VQM|AC1Q5GF9|Ethanone, 1-[2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]-, (R)-|NSC-247531|TREMETONE [MI]|2,3-dihydro-2-isopropenyl-5-benzofuranyl methyl ketone|1-[2,3-Dihydro-2-(1-methylethenyl)-5-benzofuranyl]ethanone|CHEMBL463974|DTXSID501031865|1-[(2R)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone|AKOS040747548|C08992|Q18208345|1-[(2R)-2-isopropenyl-2,3-dihydrobenzofuran-5-yl]ethanone|2,3-DIHYDRO-2(R)-ISOPROPENYL-5-BENZOFURANYL METHYL KETONE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.520 |
| Log Po/w (XLOGP3) : 2.910 |
| Log Po/w (WLOGP) : 2.770 |
| Log Po/w (MLOGP) : 2.110 |
| Log Po/w (SILICOS-IT) : 3.400 |
| Consensus Log Po/w : 2.740 |