Summary

IMPPAT Phytochemical identifier: IMPHY017936

Phytochemical name: 2-Hydroxypentan-3-one

Synonymous chemical names:
2-hydroxypentan-3-one

Chemical structure information

SMILES:
CCC(=O)C(O)C

InChI:
InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h4,6H,3H2,1-2H3

InChIKey:
QMXCHEVUAIPIRM-UHFFFAOYSA-N

DeepSMILES:
CCC=O)CO)C

Functional groups:
CC(C)=O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.621

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Chemical structure download