| Phytochemical Name : 3-Methyl-4-phenyl-3-buten-2-one |
| PCNDIDOT0790 |
| Pubchem CID : 5370646 |
| Molecular formula: C11H12O |
| Canonical SMILES : CC(=CC1=CC=CC=C1)C(=O)C |
Synonymes : 3-methyl-4-phenylbut-3-en-2-one|3-METHYL-4-PHENYL-3-BUTEN-2-ONE|(E)-3-methyl-4-phenylbut-3-en-2-one|1901-26-4|42968-14-9|Benzylidene methyl ethyl ketone|3-Buten-2-one, 3-methyl-4-phenyl-|4-Phenyl-3-methyl-3-buten-2-one|Methylbenzylideneacetone|FEMA No. 2734|3-Benzylidene-2-butenone|NSC-167115|1-Methyl-1-benzylidene-acetone|alpha-Methyl-alpha-benzalacetone|Methyl alpha-methylstyryl ketone|EINECS 217-599-1|NSC 46888|BRN 0774487|(3E)-3-methyl-4-phenylbut-3-en-2-one|UNII-Z4887E8C9X|.alpha.-Methylbenzylideneacetone|3-Buten-2-one, 3-methyl-4-phenyl-, (3E)-|Z4887E8C9X|(E)-3-Methyl-4-phenyl-3-buten-2-one|3-benzylidene-2-butanone|2-07-00-00298 (Beilstein Handbook Reference)|3-methyl-4-phenyl-3-butene-2-one|NSC-46888|benzylidene methyl acetone|SCHEMBL805622|CHEMBL3105852|CHEBI:172417|BAA90126|MFCD00136082|NSC167115|AKOS006273871|BS-12433|LS-47315|METHYL .ALPHA.-METHYLSTYRYL KETONE|CS-0266587|CS-0368611|(3E)-3-Methyl-4-phenyl-3-buten-2-one #|EN300-173579|TRANS-3-METHYL-4-PHENYL-3-BUTEN-2-ONE|3-But4en-2-one, 3-methyl-4-phenyl0-, (3E)-|3-METHYL-4-PHENYL-3-BUTEN-2-ONE [FHFI]|A903488|3-BUTEN-2-ONE, 3-METHYL-4-PHENYL-, (E)-|Q27294977 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.210 |
| Log Po/w (XLOGP3) : 2.070 |
| Log Po/w (WLOGP) : 2.570 |
| Log Po/w (MLOGP) : 2.610 |
| Log Po/w (SILICOS-IT) : 2.870 |
| Consensus Log Po/w : 2.470 |