Summary

IMPPAT Phytochemical identifier: IMPHY000685

Phytochemical name: 1-(Furan-2-yl)ethanol

Synonymous chemical names:
methylfurfuryl alcohol

External chemical identifiers:
CID:107243, SureChEMBL:SCHEMBL1133548, MolPort-000-146-125

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Chemical structure information

SMILES:
CC(c1ccco1)O

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

InChIKey:
UABXUIWIFUZYQK-UHFFFAOYSA-N

DeepSMILES:
CCcccco5)))))O

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: -0.505

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Chemical structure download