| Phytochemical Name : Benzylideneacetone |
| PCNDIDB0044 |
| Pubchem CID : 637759 |
| Molecular formula: C10H10O |
| Canonical SMILES : CC(=O)C=CC1=CC=CC=C1 |
Synonymes : Benzylideneacetone|Benzalacetone|1896-62-4|122-57-6|4-Phenylbut-3-en-2-one|(E)-4-phenylbut-3-en-2-one|Methyl styryl ketone|Acetocinnamone|trans-Benzylideneacetone|4-PHENYL-3-BUTEN-2-ONE|trans-4-Phenyl-3-buten-2-one|Benzylidene acetone|(E)-4-Phenyl-3-buten-2-one|trans-Benzalacetone|Styryl methyl ketone|Methyl trans-styryl ketone|Benzalaceton|4-Phenylbutenone|Benzilideneacetone|Benzilidene acetone|3-Buten-2-one, 4-phenyl-|2-Phenylvinyl methyl ketone|TPBO|trans-Benzylidenacetone|Methyl 2-phenylvinyl ketone|trans-4-Phenyl-3-butene-2-one|Methyl beta-styryl ketone|Ketone, methyl styryl|trans-4-Phenylbut-3-en-2-one|4-Phenyl-3-butene-2-one|(3E)-4-phenylbut-3-en-2-one|3-Buten-2-one, 4-phenyl-, (3E)-|3-BUTEN-2-ONE, 4-PHENYL-, (E)-|(3E)-4-Phenyl-3-buten-2-one|Benzalaceton [German]|FEMA No. 2881|benzalacetone-d4|NSC 5605|Benzylidene acetone (natural)|BENZ|CCRIS 5319|Methyl styryl acetone|EINECS 204-555-1|EINECS 217-587-6|1-Buten-3-one-1-phenyl|BRN 0742046|BRN 0742047|Methyl .beta.-styryl ketone|UNII-B03X40BMT5|ghl.PD_Mitscher_leg0.147|AI3-00944|AI3-52291|B03X40BMT5|DTXSID1031626|CHEBI:78399|CHEBI:217301|(3E)-4-Phenylbut-3-en-2-one (Benzalacetone)|(E)-4-Phenyl-but-3-en-2-one|4-Phenyl-but-3-en-2-one|NSC-5605|Benzalaceton (german)|EC 204-555-1|2-07-00-00287 (Beilstein Handbook Reference)|4-07-00-01003 (Beilstein Handbook Reference)|DTXCID305662|fema 2881|CAS-122-57-6|t-PBO|DTXSID4025662|Benzylidne|benzylidenacetone|benzylideneacetone, (E)-isomer|benzylideneacetone, (Z)-isomer|trans-Benzylideneacetone;Benzalacetone|benzyliden acetone|trans-4-phenyl-but-3-en-2-one|(E)-1-Buten-3-one, 1-phenyl|cinnamyl methyl ketone|Warfarin EP Impurity C|Epitope ID:120383|1-Phenyl-1-buten-3-one|Methyl beta -STYRYL ketone|SCHEMBL76632|3-buten-2-ona, 4-fenil-|E-4-phenyl-3-buten-2-one|MLS002454416|CHEMBL73639|SCHEMBL312972|WLN: 1V1U1R|BENZYLIDENEACETONE [MI]|DTXCID9011626|4-Phenyl-(E)-3-Buten-2-one|AMY6963|BENZYLIDENEACETONE, (E)-|Benzylideneacetone, >=98%, FG|NSC5605|Benzalacetone, analytical standard|HMS2268K18|4-Phenyl-3-buten-2-one, 99%|BENZALACETONE [USP IMPURITY]|Tox21_201502|Tox21_301598|Tox21_303222|LS-666|LS-958|MFCD00008779|s9478|STK803195|AKOS000119902|BUT-3-EN-2-ONE, 4-PHENYL-|CS-O-14085|CS-W013311|DS-4780|HY-W012595|4-PHENYL-3-BUTEN-2-ONE, TRANS|NCGC00091356-01|NCGC00091356-02|NCGC00255323-01|NCGC00257166-01|NCGC00259053-01|4-PHENYL-3-BUTEN-2-ONE [FHFI]|SMR001252234|CAS-1896-62-4|trans-4-Phenyl-3-buten-2-one, >=99%|P0163|EN300-18891|D70186|D70528|EN300-366968|WARFARIN SODIUM IMPURITY C [EP IMPURITY]|A804921|A813340|4-PHENYL-3-BUTENE-2-ONE, BENZYLIDENEACETONE|Q4380955|W-107746|W-109036|3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE|3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE|F0001-0357|Z2582847786|METHYL STYRYL KETONE (SEE ALSO METHYL STYRYL KETONE (1896-62-4))|METHYL TRANS-STYRYL KETONE (SEE ALSO METHYL STYRYL KETONE (122-57-6)) |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.000 |
| Log Po/w (XLOGP3) : 2.070 |
| Log Po/w (WLOGP) : 2.180 |
| Log Po/w (MLOGP) : 2.310 |
| Log Po/w (SILICOS-IT) : 2.670 |
| Consensus Log Po/w : 2.250 |

