Summary

IMPPAT Phytochemical identifier: IMPHY005811

Phytochemical name: 2-Pentylfuran

Synonymous chemical names:
2-amyl furan, 2-amylfuran, 2-n-pentylfuran, 2-penthyl furan, 2-pentyl-furan, 2-pentyl-furane, 2-pentylfuran, pentylfuran, 2-

External chemical identifiers:
CID:19602, ChEMBL:CHEMBL3182720, ChEBI:89197, ZINC:ZINC000001997926, FDASRS:6I0QAJ1JZQ, SureChEMBL:SCHEMBL221257, MolPort-001-767-620

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Chemical structure information

SMILES:
CCCCCc1ccco1

InChI:
InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

InChIKey:
YVBAUDVGOFCUSG-UHFFFAOYSA-N

DeepSMILES:
CCCCCcccco5

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: -0.368

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Chemical structure download