Summary

IMPPAT Phytochemical identifier: IMPHY015298

Phytochemical name: 2-Propylfuran

Synonymous chemical names:
2-propylfuran

External chemical identifiers:
CID:77907, ZINC:ZINC000001668229, SureChEMBL:SCHEMBL414949

---

Chemical structure information

SMILES:
CCCc1ccco1

InChI:
InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3

InChIKey:
CPLJMYOQYRCCBY-UHFFFAOYSA-N

DeepSMILES:
CCCcccco5

Functional groups:
coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

---

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: -0.831

---

Chemical structure download