Summary

IMPPAT Phytochemical identifier: IMPHY012042

Phytochemical name: Isopropyl alcohol

Synonymous chemical names:
2-propanol, isopropanol, isopropyl alcohol

External chemical identifiers:
CID:3776, ChEMBL:CHEMBL582, ChEBI:17824, ZINC:ZINC000000901159, FDASRS:ND2M416302, SureChEMBL:SCHEMBL385, MolPort-000-871-957

---

Chemical structure information

SMILES:
CC(O)C

InChI:
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

InChIKey:
KFZMGEQAYNKOFK-UHFFFAOYSA-N

DeepSMILES:
CCO)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: 0.517

---

Chemical structure download