Summary

IMPPAT Phytochemical identifier: IMPHY017179

Phytochemical name: 4-Ethyl-2-methoxy-6-methylphenol

Synonymous chemical names:
2-methoxy-4-ethyl-6-methylphenol

External chemical identifiers:
CID:183540, ZINC:ZINC000005956160, FDASRS:7FEH4UA6E9, SureChEMBL:SCHEMBL12121960

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Chemical structure information

SMILES:
CCc1cc(OC)c(c(c1)C)O

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

InChIKey:
YXJGWDBCRDWHLV-UHFFFAOYSA-N

DeepSMILES:
CCcccOC))ccc6)C))O

Functional groups:
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: 0.414

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Chemical structure download