Summary

IMPPAT Phytochemical identifier: IMPHY013765

Phytochemical name: 2,3,5,6-Tetramethylphenol

Synonymous chemical names:
durenol

External chemical identifiers:
CID:10694, ZINC:ZINC000000967465, FDASRS:D3E9LGC5N8, SureChEMBL:SCHEMBL204468

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Chemical structure information

SMILES:
Cc1cc(C)c(c(c1C)O)C

InChI:
InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3

InChIKey:
KLAQSPUVCDBEGF-UHFFFAOYSA-N

DeepSMILES:
CcccC)ccc6C))O))C

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: Cresols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.254

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Chemical structure download