Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015284

Phytochemical name: 2,4-Dimethylstyrene

Synonymous chemical names:
2,4-dimethylstyrene

External chemical identifiers:
CID:CID_16694, ZINC:ZINC000001690997, FDASRS:543ES1O25E, SureChEMBL:SCHEMBL14926, MolPort-001-792-214

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Chemical structure information

SMILES:
C=Cc1ccc(cc1C)C

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

InChIKey:
OEVVKKAVYQFQNV-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: -0.279

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Chemical structure download