Summary

IMPPAT Phytochemical identifier: IMPHY015218

Phytochemical name: 2,3-Dimethylbenzofuran

Synonymous chemical names:
2,3-dimethyl benzofuran

External chemical identifiers:
CID:2734646, ChEBI:173615, ZINC:ZINC000002555390, FDASRS:IGH41K1QPK, SureChEMBL:SCHEMBL183071, MolPort-002-498-163

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Chemical structure information

SMILES:
Cc1c(C)oc2c1cccc2

InChI:
InChI=1S/C10H10O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3

InChIKey:
YGBXXWTZWLALGR-UHFFFAOYSA-N

DeepSMILES:
CccC)occ5cccc6

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: Shikimates and Phenylpropanoids

NP-Likeness score: -0.343

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Chemical structure download