Summary

IMPPAT Phytochemical identifier: IMPHY003552

Phytochemical name: 2,3-Dimethylstyrene

Synonymous chemical names:
dimethylstyrene

External chemical identifiers:
CID:33936, ZINC:ZINC000002012373, SureChEMBL:SCHEMBL28496, MolPort-020-235-718

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Chemical structure information

SMILES:
C=Cc1cccc(c1C)C

InChI:
InChI=1S/C10H12/c1-4-10-7-5-6-8(2)9(10)3/h4-7H,1H2,2-3H3

InChIKey:
HLOUDBQOEJSUPI-UHFFFAOYSA-N

DeepSMILES:
C=Ccccccc6C))C

Functional groups:
cC=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

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.2

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Chemical structure download