Summary

IMPPAT Phytochemical identifier: IMPHY015629

Phytochemical name: 1,2,4,5-Tetramethylbenzene

Synonymous chemical names:
durene

External chemical identifiers:
CID:7269, ChEMBL:CHEMBL1797134, ChEBI:38978, ZINC:ZINC000001295393, FDASRS:181426CFYB, SureChEMBL:SCHEMBL39444, MolPort-001-779-961

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Chemical structure information

SMILES:
Cc1cc(C)c(cc1C)C

InChI:
InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3

InChIKey:
SQNZJJAZBFDUTD-UHFFFAOYSA-N

DeepSMILES:
CcccC)ccc6C)))C

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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: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.444

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Chemical structure download