Summary

IMPPAT Phytochemical identifier: IMPHY017316

Phytochemical name: 5-Methylfurfuryl alcohol

Synonymous chemical names:
5-methyl-2-furfuryl alcohol

External chemical identifiers:
CID:520911, ZINC:ZINC000000152340, FDASRS:0JVO5EFA0A, SureChEMBL:SCHEMBL183308, MolPort-000-141-486

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Chemical structure information

SMILES:
Cc1ccc(o1)CO

InChI:
InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3

InChIKey:
VOZFDEJGHQWZHU-UHFFFAOYSA-N

DeepSMILES:
Ccccco5)CO

Functional groups:
CO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -0.33

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Chemical structure download