| Phytochemical Name : 1,3,8-Trimethylnaphthalene |
| PCNDIDOT0333 |
| Pubchem CID : 28226 |
| Molecular formula: C13H14 |
| Canonical SMILES : CC1=C2C(=CC(=CC2=CC=C1)C)C |
Synonymes : 1,3,8-TRIMETHYLNAPHTHALENE|2,4,5-Trimethylnaphthalene|17057-91-9|Trimethylnaphthalene|Naphthalene, trimethyl-|Naphthalene, 1,3,8-trimethyl-|UNII-X3MOE579W5|X3MOE579W5|28652-77-9|EINECS 241-121-0|Naphthalene,1,3,8-trimethyl-|1,3,8-trimethyl-naphthalene|DTXSID70904162|MFCD01321196|AKOS022181083|CS-0336882|T1712|D92510|Q27293511 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.600 |
| Log Po/w (XLOGP3) : 4.270 |
| Log Po/w (WLOGP) : 3.770 |
| Log Po/w (MLOGP) : 5.100 |
| Log Po/w (SILICOS-IT) : 4.430 |
| Consensus Log Po/w : 4.030 |