Summary

IMPPAT Phytochemical identifier: IMPHY002926

Phytochemical name: 2,3-Butanediol

Synonymous chemical names:
2, 3-butanediol, 2,3-butanediol, butane-2,3-diol

External chemical identifiers:
CID:262, ChEMBL:CHEMBL2312529, ChEBI:62064, SureChEMBL:SCHEMBL22162, MolPort-003-927-421

---

Chemical structure information

SMILES:
CC(C(O)C)O

InChI:
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

InChIKey:
OWBTYPJTUOEWEK-UHFFFAOYSA-N

DeepSMILES:
CCCO)C))O

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: 0.629

---

Chemical structure download