| Phytochemical Name : Methyl 2-ethylhexyl phthalate |
| PCNDIDM0077 |
| Pubchem CID : 596027 |
| Molecular formula: C17H24O4 |
| Canonical SMILES : CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OC |
Synonymes : Methyl 2-ethylhexyl phthalate|56166-83-7|2-Ethylhexyl methyl phthalate|2-O-(2-ethylhexyl) 1-O-methyl benzene-1,2-dicarboxylate|1,2-Benzenedicarboxylic acid, 2-ethylhexyl methyl ester|1-(2-ethylhexyl) 2-methyl benzene-1,2-dicarboxylate|SCHEMBL6404103|DTXSID20880902|AKOS037645283|1-(2-Ethylhexyl) 2-methyl phthalate #|AS-59661|Phthalic acid 1-(2-ethylhexyl)2-methyl ester|D93134|1,2-BENZENEDICARBOXYLIC ACID 2-ETHYLHEXYLMETHYL ESTER |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.480 |
| Log Po/w (XLOGP3) : 4.320 |
| Log Po/w (WLOGP) : 3.850 |
| Log Po/w (MLOGP) : 3.670 |
| Log Po/w (SILICOS-IT) : 4.210 |
| Consensus Log Po/w : 3.910 |