Summary

IMPPAT Phytochemical identifier: IMPHY017047

Phytochemical name: Dimethyleugenol

Synonymous chemical names:
dimethyl eugenol

External chemical identifiers:
CID:129710410

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Chemical structure information

SMILES:
C=CCc1cc(OC)c(c(c1C)C)O

InChI:
InChI=1S/C12H16O2/c1-5-6-10-7-11(14-4)12(13)9(3)8(10)2/h5,7,13H,1,6H2,2-4H3

InChIKey:
ANHOSSOUBAAEOY-UHFFFAOYSA-N

DeepSMILES:
C=CCcccOC))ccc6C))C))O

Functional groups:
C=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP-Likeness score: 0.976

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Chemical structure download