| Phytochemical Name : 4-Allyltoluene |
| PCNDIDOT0830 |
| Pubchem CID : 76851 |
| Molecular formula: C10H12 |
| Canonical SMILES : CC1=CC=C(C=C1)CC=C |
Synonymes : 4-Allyltoluene|3333-13-9|1-Allyl-4-methylbenzene|p-Allyltoluene|3-p-Tolylpropene|Benzene, 1-methyl-4-(2-propenyl)-|p-Methylallylbenzene|Toluene, p-allyl-|1-methyl-4-prop-2-enylbenzene|3-(4-methylphenyl)-1-propene|1-methyl-4-(prop-2-en-1-yl)benzene|8YYQ7W3Z76|1-methyl-4-(2-propenyl)-benzene|EINECS 222-063-5|MFCD00048186|NSC 73971|NSC-73971|Benzene, 1-methyl-4-(2-propen-1-yl)-|3-(4-Methylphenyl)prop-1-ene|starbld0009775|4-Allyltoluene, 97%|1-methyl-4-allylbenzene|UNII-8YYQ7W3Z76|DTXSID4062983|1-Methyl-4-(2-propenyl)benzene|NSC73971|AKOS016016712|HY-W074514|AS-56587|CS-0109480|FT-0692399|D76863|EN300-698339|J-019147 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.450 |
| Log Po/w (XLOGP3) : 3.900 |
| Log Po/w (WLOGP) : 2.720 |
| Log Po/w (MLOGP) : 4.380 |
| Log Po/w (SILICOS-IT) : 3.450 |
| Consensus Log Po/w : 3.380 |