| Phytochemical Name : 4-Hydroxy-2-butanone |
| PCNDIDOT0852 |
| Pubchem CID : 111509 |
| Molecular formula: C4H8O2 |
| Canonical SMILES : CC(=O)CCO |
Synonymes : 4-Hydroxy-2-butanone|4-Hydroxybutan-2-one|590-90-9|2-Butanone, 4-hydroxy-|Methylolacetone|3-Oxo-1-butanol|3-Oxobutanol|Monomethylolacetone|3-Ketobutan-1-ol|4-Butanol-2-one|2-Hydroxyethyl methyl ketone|4-hydroxy-butan-2-one|UNII-TCM0BJ44MF|NSC 41219|TCM0BJ44MF|CH3C(O)CH2CH2OH|EINECS 209-693-6|MFCD00059005|NSC-41219|AI3-11747|EC 209-693-6|68648-26-0|3-ketobutanol|4H2B compound|4-hydroxy butanone|1-hydroxy-3-butanone|4-oxidanylbutan-2-one|1d7j|1 -hydroxy-3-butanone|D04NBE|ghl.PD_Mitscher_leg0.412|methyl beta-hydroxyethyl ketone|4-Hydroxy-2-butanone, 95%|DTXSID4060442|CHEBI:41268|AMY31061|NSC41219|BBL028076|STL372661|AKOS009156643|DB04094|SB83766|BUQ|SY002849|CS-0044370|FT-0618625|H0584|EN300-84982|A832151|A929265|Q27094939|Z906206900 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.710 |
| Log Po/w (XLOGP3) : -0.800 |
| Log Po/w (WLOGP) : -0.040 |
| Log Po/w (MLOGP) : -0.330 |
| Log Po/w (SILICOS-IT) : 0.130 |
| Consensus Log Po/w : -0.060 |