Summary

IMPPAT Phytochemical identifier: IMPHY001223

Phytochemical name: 2,3-Dihydrobenzofuran

Synonymous chemical names:
2,3-dihydrobenzofuran, 2.3-dihydrobenzofuran, coumaran

External chemical identifiers:
CID:10329, ChEMBL:CHEMBL370688, ChEBI:87607, ZINC:ZINC000006661321, FDASRS:99E861415L, SureChEMBL:SCHEMBL33192, MolPort-000-146-048

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Chemical structure information

SMILES:
c1ccc2c(c1)OCC2

InChI:
InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2

InChIKey:
HBEDSQVIWPRPAY-UHFFFAOYSA-N

DeepSMILES:
cccccc6)OCC5

Functional groups:
cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCO2

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Coumarans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP-Likeness score: -0.287

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Chemical structure download