Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002080

Phytochemical name: 2-Butanol

Synonymous chemical names:
butan-2-ol, 2-butanol*, 2-butanol

External chemical identifiers:
CID:CID_6568, ChEMBL:CHEMBL45462, ChEBI:CHEBI:35687, FDASRS:0TUL3ENK62, SureChEMBL:SCHEMBL1418, MolPort-001-783-136

---

Chemical structure information

SMILES:
CCC(O)C

InChI:
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

InChIKey:
BTANRVKWQNVYAZ-UHFFFAOYSA-N

DeepSMILES:
CCCO)C

Functional groups:
CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.622

---

Chemical structure download