| Phytochemical Name : 3-Phenylhexane |
| PCNDIDOT0805 |
| Pubchem CID : 20546 |
| Molecular formula: C12H18 |
| Canonical SMILES : CCCC(CC)C1=CC=CC=C1 |
Synonymes : 3-Phenylhexane|hexan-3-ylbenzene|Benzene, (1-ethylbutyl)-|4468-42-2|Hexane, 3-phenyl-|KIQ0N3DUG5|DTXSID4041492|1-(HEXAN-3-YL)BENZENE|3-(3-Hexyl)phenol|(1-ETHYLBUTYL)BENZENE|(3-Hexyl)benzene|UNII-KIQ0N3DUG5|(1-Ethylbutyl)benzene #|CHEMBL3182272|DTXCID2021492|Tox21_301226|AKOS006280708|NCGC00255482-01|CAS-4468-42-2 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.830 |
| Log Po/w (XLOGP3) : 4.850 |
| Log Po/w (WLOGP) : 3.980 |
| Log Po/w (MLOGP) : 5.050 |
| Log Po/w (SILICOS-IT) : 3.870 |
| Consensus Log Po/w : 4.120 |