Summary

IMPPAT Phytochemical identifier: IMPHY012170

Phytochemical name: 2-Methylbenzofuran

Synonymous chemical names:
2-methylbenzofuran, 2-methylbenzofuranb

External chemical identifiers:
CID:20263, ChEBI:89722, ZINC:ZINC000002013344, FDASRS:8X3183BZ3X, SureChEMBL:SCHEMBL12264, MolPort-003-928-091

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Chemical structure information

SMILES:
Cc1cc2c(o1)cccc2

InChI:
InChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3

InChIKey:
GBGPVUAOTCNZPT-UHFFFAOYSA-N

DeepSMILES:
Ccccco5)cccc6

Functional groups:
coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2occc2c1

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: Benzofurans

NP Classifier Biosynthetic pathway: Polyketides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 0.05

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Chemical structure download