Summary

IMPPAT Phytochemical identifier: IMPHY015217

Phytochemical name: 2,3-Dihydro-2-methylbenzofuran

Synonymous chemical names:
2,3-dihydro-2-methylbenzofuran

External chemical identifiers:
CID:101130, SureChEMBL:SCHEMBL765957, MolPort-001-782-180

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Chemical structure information

SMILES:
CC1Cc2c(O1)cccc2

InChI:
InChI=1S/C9H10O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3

InChIKey:
BWCJVGMZEQDOMY-UHFFFAOYSA-N

DeepSMILES:
CCCccO5)cccc6

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-Likeness score: 0.197

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Chemical structure download