Summary

IMPPAT Phytochemical identifier: IMPHY011042

Phytochemical name: Crotyl alcohol

Synonymous chemical names:
2-butenol

External chemical identifiers:
CID:637922, ChEMBL:CHEMBL118459, ZINC:ZINC000001758744, FDASRS:L585TY5908, SureChEMBL:SCHEMBL2095, MolPort-001-759-965

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Chemical structure information

SMILES:
C/C=C/CO

InChI:
InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+

InChIKey:
WCASXYBKJHWFMY-NSCUHMNNSA-N

DeepSMILES:
C/C=C/CO

Functional groups:
C/C=C/C, 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: 2.391

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Chemical structure download