Summary

IMPPAT Phytochemical identifier: IMPHY006599

Phytochemical name: 4-Ethylcatechol

Synonymous chemical names:
4-ethylcatechol

External chemical identifiers:
CID:70761, ChEMBL:CHEMBL1276241, ZINC:ZINC000000002501, FDASRS:574JV8BYR2, SureChEMBL:SCHEMBL56556, MolPort-006-112-967

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Chemical structure information

SMILES:
CCc1ccc(c(c1)O)O

InChI:
InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3

InChIKey:
HFLGBNBLMBSXEM-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6)O))O

Functional groups:
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: Benzenediols

NP-Likeness score: 0.584

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Chemical structure download