| Phytochemical Name : Valerophenone |
| PCNDIDV0003 |
| Pubchem CID : 66093 |
| Molecular formula: C11H14O |
| Canonical SMILES : CCCCC(=O)C1=CC=CC=C1 |
Synonymes : Valerophenone|1-phenylpentan-1-one|1009-14-9|Butyl phenyl ketone|Pentanophenone|1-Pentanone, 1-phenyl-|1-Phenyl-1-pentanone|2-propylacetophenone|1-phenyl-pentan-1-one|MFCD00009480|UNII-F27Q043NT1|CHEBI:36812|F27Q043NT1|EINECS 213-767-3|NSC 58959|NSC-58959|AI3-09309|n-Butyl phenyl ketone|1-Benzoylbutane|NSC58959|Valerophenone, 8CI|Valerophenone, 99%|4-methyl butyrophenone|SCHEMBL50014|CHEMBL372105|DTXSID0061406|XKGLSKVNOSHTAD-UHFFFAOYSA-|AC8072|BBL011454|STL146566|AKOS000120679|CS-W010853|AS-12867|SY013718|1-phenylpentan-1-one, Butyl phenyl ketone|AM20020075|FT-0657901|FT-0675759|V0009|EN300-21000|A897297|Q3304162|W-108931|F0001-0049 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.390 |
| Log Po/w (XLOGP3) : 3.310 |
| Log Po/w (WLOGP) : 3.060 |
| Log Po/w (MLOGP) : 2.690 |
| Log Po/w (SILICOS-IT) : 3.210 |
| Consensus Log Po/w : 2.930 |