Summary

IMPPAT Phytochemical identifier: IMPHY015265

Phytochemical name: 2-Hexylfuran

Synonymous chemical names:
2-hexylfuran, 2n-hexyl furan

External chemical identifiers:
CID:77408, ChEBI:171966, ZINC:ZINC000002510293, SureChEMBL:SCHEMBL1514965, MolPort-006-115-700

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Chemical structure information

SMILES:
CCCCCCc1ccco1

InChI:
InChI=1S/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3

InChIKey:
XBLCAKKYMZVLPU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCcccco5

Functional groups:
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: -0.237

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Chemical structure download