Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005589

Phytochemical name: Isopropyl alcohol

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

External chemical identifiers:
CID:CID_3776, ChEMBL:CHEMBL582, ChEBI:CHEBI:17824, ZINC:ZINC000000901159, FDASRS:ND2M416302, SureChEMBL:SCHEMBL385, MolPort-000-871-957

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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

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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

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Chemical structure download