Summary

IMPPAT Phytochemical identifier: IMPHY015656

Phytochemical name: Ethyl 2-furoate

Synonymous chemical names:
ethyl 2-furoate, ethyl furoate

External chemical identifiers:
CID:11980, ChEBI:169174, ZINC:ZINC000000164474, FDASRS:S1H449R92T, SureChEMBL:SCHEMBL859237, MolPort-001-766-685

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Chemical structure information

SMILES:
CCOC(=O)c1ccco1

InChI:
InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3

InChIKey:
NHXSTXWKZVAVOQ-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)cccco5

Functional groups:
cC(=O)OC, 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: Furans

ClassyFire Subclass: Furoic acid and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -1.154

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Chemical structure download