Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001693

Phytochemical name: 4-Ethyl-2-methoxyphenol

Synonymous chemical names:
2-methoxy-4-ethylphenol, p-ethylguaiacol, 4-Ethyl-2-methoxyphenol, 4-ethyl-2-methoxyphenol, 4-ethyiguaiacol*, 4-ethylguaiacol, 4-ethyl-guaiacol

External chemical identifiers:
CID:CID_62465, ChEMBL:CHEMBL3186900, ZINC:ZINC000001631205, FDASRS:C9NFD83BJ5, SureChEMBL:SCHEMBL109504, MolPort-002-501-772

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Chemical structure information

SMILES:
CCc1ccc(c(c1)OC)O

InChI:
InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3

InChIKey:
CHWNEIVBYREQRF-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6)OC)))O

Functional groups:
cOC, cO

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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: 0.404

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Chemical structure download