| Phytochemical Name : Benzoylacetone |
| PCNDIDB0031 |
| Pubchem CID : 7166 |
| Molecular formula: C10H10O2 |
| Canonical SMILES : CC(=O)CC(=O)C1=CC=CC=C1 |
Synonymes : Benzoylacetone|93-91-4|1-PHENYL-1,3-BUTANEDIONE|1-Phenylbutane-1,3-dione|1-Benzoylacetone|1,3-Butanedione, 1-phenyl-|Acetoacetophenone|Acetylbenzoylmethane|1-Benzoyl-2-propanone|2-Propanone, benzoyl-|2-Acetylacetophenone|Benzoyl-aceton|benzoyl acetone|alpha-Acetylacetophenone|.alpha.-Acetylacetophenone|1-phenyl-butane-1,3-dione|MFCD00008786|Benzoyl-aceton [German]|NSC 4015|AI3-10572|EINECS 202-286-4|BRN 0742413|UNII-I3RUV8U115|I3RUV8U115|DTXSID3021803|NSC-4015|NSC-100655|4-07-00-02151 (Beilstein Handbook Reference)|NSC-83580|NSC-83581|NSC-87898|NSC-88942|NSC-97232|NSC-97233|NSC-404283|NSC-405722|NSC-405723|NSC-405724|1-phenyl-1,3-butandione|acetyl acetophenone|1-phenylbutan-1,3-dione|1-phenyl-butane-1,3 dione|SCHEMBL15116|DTXCID901803|CHEMBL3186793|NSC4015|4-PHENYL-2,4-BUTANEDIONE|1-Phenyl-1,3-butanedione, 99%|STR01075|4-OXO-4-PHENYLBUTAN-2-ONE|Tox21_202879|NSC100655|STK802149|AKOS000119529|PHENYL-1,3-BUTANEDIONE, 1-|CS-W014323|PS-3611|CAS-93-91-4|NCGC00260425-01|LS-45895|SY011141|1-METHYL-3-PHENYL-1,3-PROPANEDIONE|FT-0622746|EN300-19842|B-0690|A844735|J-802021|1-Phenyl-1,3-butanedione, purum, >=98.0% (GC)|Q27280358|F3098-2657|(Z)-4-hydroxy-4-phenyl-but-3-en-2-one;1-Phenyl-1,3-butanedione |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.520 |
| Log Po/w (XLOGP3) : 1.570 |
| Log Po/w (WLOGP) : 1.850 |
| Log Po/w (MLOGP) : 1.390 |
| Log Po/w (SILICOS-IT) : 2.380 |
| Consensus Log Po/w : 1.740 |

