Summary

IMPPAT Phytochemical identifier: IMPHY016417

Phytochemical name: 4-Ethyl-1,2-dimethoxybenzene

Synonymous chemical names:
4-ethylveratrole

External chemical identifiers:
CID:79990, ZINC:ZINC000002567866, SureChEMBL:SCHEMBL31428, MolPort-003-984-810

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Chemical structure information

SMILES:
COc1cc(CC)ccc1OC

InChI:
InChI=1S/C10H14O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h5-7H,4H2,1-3H3

InChIKey:
NEBQMYHKOREVAL-UHFFFAOYSA-N

DeepSMILES:
COcccCC))ccc6OC

Functional groups:
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: Benzene and substituted derivatives

ClassyFire Subclass: Methoxybenzenes

NP-Likeness score: -0.266

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Chemical structure download