Summary

IMPPAT Phytochemical identifier: IMPHY006583

Phytochemical name: 2,6-Dimethylhydroquinone

Synonymous chemical names:
2,6-dimethyl-1,4-benzenediol, 2,6-dimethylhydroquinone, m-xylohydroquinone

External chemical identifiers:
CID:69560, ChEMBL:CHEMBL4205770, ZINC:ZINC000000406908, FDASRS:20F4R79OM2, SureChEMBL:SCHEMBL22339, MolPort-003-855-278

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Chemical structure information

SMILES:
Oc1cc(C)c(c(c1)C)O

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

InChIKey:
SGWZVZZVXOJRAQ-UHFFFAOYSA-N

DeepSMILES:
OcccC)ccc6)C))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: 0.755

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Chemical structure download