Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001954

Phytochemical name: Propanol

Synonymous chemical names:
propan-1-ol, propyl alcohol, propyl alcohol, 1-propanol, propanol

External chemical identifiers:
CID:CID_1031, ChEMBL:CHEMBL14687, ChEBI:CHEBI:28831, ZINC:ZINC000000895969, FDASRS:96F264O9SV, SureChEMBL:SCHEMBL1478, MolPort-000-872-058

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Chemical structure information

SMILES:
CCCO

InChI:
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

InChIKey:
BDERNNFJNOPAEC-UHFFFAOYSA-N

DeepSMILES:
CCCO

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: 0.672

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Chemical structure download