Summary

IMPPAT Phytochemical identifier: IMPHY016978

Phytochemical name: 5-Methoxy-2,3-dihydro-1-benzofuran

Synonymous chemical names:
5-methoxy-2,3-dihydrobenzofuran

External chemical identifiers:
CID:11116225, ZINC:ZINC000028580496, SureChEMBL:SCHEMBL3716710, MolPort-004-847-922

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Chemical structure information

SMILES:
COc1ccc2c(c1)CCO2

InChI:
InChI=1S/C9H10O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-3,6H,4-5H2,1H3

InChIKey:
BEUYIWOWEBGZHX-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)CCO5

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-Likeness score: -0.339

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Chemical structure download