| Phytochemical Name : Isobutyrophenone |
| PCNDIDI0052 |
| Pubchem CID : 69144 |
| Molecular formula: C10H12O |
| Canonical SMILES : CC(C)C(=O)C1=CC=CC=C1 |
Synonymes : Isobutyrophenone|611-70-1|2-methyl-1-phenylpropan-1-one|Isopropyl phenyl ketone|1-Propanone, 2-methyl-1-phenyl-|Phenyl isopropyl ketone|2-Methylpropiophenone|Isopropyl phenyl keton|alpha-Methylpropiophenone|2-Methyl-1-phenyl-1-propanone|.alpha.-Methylpropiophenone|UNII-8L53972NTZ|DTXSID6048202|8L53972NTZ|NSC 6552|NSC-6552|EINECS 210-275-0|AI3-11204|EC 210-275-0|Isobutyrylbenzene|iso-Butyrophenone|2-methyl-1-phenyl-propan-1-one|MFCD00008917|2-methyl-propiophenone|Isobutyrophenone, 97%|2,2-dimethylacetophenone|beta-Estradiol17-acetate|(i-propyl)(phenyl)methanone|SCHEMBL163939|CHEMBL3187314|DTXCID4028177|NSC6552|2-METHYL-1-PHENYLPROPANONE|Tox21_303431|STL280299|AKOS009156534|CS-W016333|1-PHENYL-2-METHYL-1-PROPANONE|NCGC00257259-01|AC-18371|AS-59733|CAS-611-70-1|A8494|FT-0693424|I0113|EN300-36429|D78212|Q27270703 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.120 |
| Log Po/w (XLOGP3) : 2.730 |
| Log Po/w (WLOGP) : 2.530 |
| Log Po/w (MLOGP) : 2.400 |
| Log Po/w (SILICOS-IT) : 2.680 |
| Consensus Log Po/w : 2.490 |