Summary

IMPPAT Phytochemical identifier: IMPHY011050

Phytochemical name: 3-Buten-2-OL

Synonymous chemical names:
3-buten-2-ol

External chemical identifiers:
CID:11716, SureChEMBL:SCHEMBL41930, MolPort-001-785-842

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Chemical structure information

SMILES:
CC(C=C)O

InChI:
InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3

InChIKey:
MKUWVMRNQOOSAT-UHFFFAOYSA-N

DeepSMILES:
CCC=C))O

Functional groups:
C=CC, 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: 1.624

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Chemical structure download