Summary

IMPPAT Phytochemical identifier: IMPHY017058

Phytochemical name: 3-Methyl-2-(2-methylpropyl)furan

Synonymous chemical names:
3-methyl-2-(2-methylpropyl)furan

External chemical identifiers:
CID:13153916, SureChEMBL:SCHEMBL21858121

---

Chemical structure information

SMILES:
CC(Cc1occc1C)C

InChI:
InChI=1S/C9H14O/c1-7(2)6-9-8(3)4-5-10-9/h4-5,7H,6H2,1-3H3

InChIKey:
YDLMQUUAXXAXOE-UHFFFAOYSA-N

DeepSMILES:
CCCcoccc5C)))))))C

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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 0.73

---

Chemical structure download