Summary

IMPPAT Phytochemical identifier: IMPHY015690

Phytochemical name: Difurfuryl ether

Synonymous chemical names:
furfuryl,di, ether

External chemical identifiers:
CID:263034, ZINC:ZINC000001627247, FDASRS:55L57OC81G, SureChEMBL:SCHEMBL891457

---

Chemical structure information

SMILES:
O(Cc1ccco1)Cc1ccco1

InChI:
InChI=1S/C10H10O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2

InChIKey:
YEQMNLGBLPBBNI-UHFFFAOYSA-N

DeepSMILES:
OCcccco5))))))Ccccco5

Functional groups:
COC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(COCc2ccco2)c1

Scaffold Graph/Node level:
C1COC(COCC2CCCO2)C1

Scaffold Graph level:
C1CCC(CCCC2CCCC2)C1

---

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: -0.821

---

Chemical structure download