Summary

IMPPAT Phytochemical identifier: IMPHY017007

Phytochemical name: 2-(Phenylmethyl)furan

Synonymous chemical names:
2-benzylfuran

External chemical identifiers:
CID:12200729, SureChEMBL:SCHEMBL596315

---

Chemical structure information

SMILES:
c1ccc(cc1)Cc1ccco1

InChI:
InChI=1S/C11H10O/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-8H,9H2

InChIKey:
MLRBNIXMTWSDJU-UHFFFAOYSA-N

DeepSMILES:
cccccc6))Ccccco5

Functional groups:
coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2ccco2)cc1

Scaffold Graph/Node level:
C1CCC(CC2CCCO2)CC1

Scaffold Graph level:
C1CCC(CC2CCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -0.587

---

Chemical structure download