| Phytochemical Name : Isobutyl cinnamate |
| PCNDIDI0049 |
| Pubchem CID : 778574 |
| Molecular formula: C13H16O2 |
| Canonical SMILES : CC(C)COC(=O)C=CC1=CC=CC=C1 |
Synonymes : Isobutyl cinnamate|122-67-8|Labdanol|2-Methylpropyl cinnamate|CINNAMIC ACID, ISOBUTYL ESTER|2-Methylpropyl 3-phenylpropenoate|Isobutyl 3-phenylpropenoate|FEMA No. 2193|Isobutyl beta-phenylacrylate|iso-Butyl cinnamate|2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester|2-Methylpropyl beta-phenylacrylate|Isobutyl 3-phenylacrylate|EINECS 204-564-0|UNII-4NCI0MR7KP|4NCI0MR7KP|2-Methylpropyl 3-phenyl-2-propenoate|NSC 404181|2-methylpropyl (E)-3-phenylprop-2-enoate|AI3-02384|2-methylpropyl (2E)-3-phenylprop-2-enoate|Isobutyl cinammate|NSC-404181|31416-74-7|DTXSID2047646|CINNAMATE, 2-METHYLPROPYL|isobutylcinnamat|MFCD00038289|E-Isobutylcinnamate|E-Isobutyl cinnamate|Cinnamic acid isobutyl ester|Isobutyl cinnamate, >=98%|SCHEMBL868714|CHEMBL2286136|DTXCID0027646|ISOBUTYL CINNAMATE [FCC]|WLN: 1Y1&1OV1U1R|ISOBUTYL CINNAMATE [FHFI]|CHEBI:192920|HMS1577E01|Tox21_302557|AC7839|NSC404181|STK204833|AKOS005415735|AKOS025310762|CS-W015404|LS-2850|Isobutyl cinnamate, >=98%, FCC, FG|NCGC00256819-01|BS-14632|CAS-122-67-8|Isobutyl (2E)-3-phenyl-2-propenoate #|Q27260243 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.970 |
| Log Po/w (XLOGP3) : 3.950 |
| Log Po/w (WLOGP) : 2.790 |
| Log Po/w (MLOGP) : 3.040 |
| Log Po/w (SILICOS-IT) : 3.160 |
| Consensus Log Po/w : 3.180 |