| Phytochemical Name : Phenylacetone |
| PCNDIDP0085 |
| Pubchem CID : 7678 |
| Molecular formula: C9H10O |
| Canonical SMILES : CC(=O)CC1=CC=CC=C1 |
Synonymes : Phenylacetone|1-phenylpropan-2-one|1-Phenyl-2-propanone|103-79-7|Benzyl methyl ketone|Methyl benzyl ketone|Phenyl-2-propanone|2-Propanone, 1-phenyl-|3-Phenyl-2-propanone|1-Phenylacetone|Phenylmethyl methyl ketone|phenyl acetone|1-phenyl-propan-2-one|NSC 9827|136675-26-8|EINECS 203-144-4|UNII-O7IZH10V9Y|O7IZH10V9Y|AI3-02938|DEA No. 8501|CHEMBL3800510|NSC-9827|P2P|Phenylacetone, 99%|phenylacetone-|(phenyl)acetone|methylbenzyl ketone|phenyl 2-propanone|1-Phenylpropane-2-one|2-propanona, 1-fenil-|PHENYLACETONE [MI]|SCHEMBL43943|ghl.PD_Mitscher_leg0.660|DTXSID1059280|SCHEMBL13341529|CHEBI:52052|HSDB 8385|NSC9827|Phenylacetone, analytical standard|BCP22277|BDBM50167968|STL373560|AKOS004905656|LS-123152|FT-0673719|A800807|Q418831|AMFETAMINE SULFATE IMPURITY B [EP IMPURITY] |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.800 |
| Log Po/w (XLOGP3) : 1.440 |
| Log Po/w (WLOGP) : 1.820 |
| Log Po/w (MLOGP) : 2.100 |
| Log Po/w (SILICOS-IT) : 2.500 |
| Consensus Log Po/w : 1.930 |