Summary

IMPPAT Phytochemical identifier: IMPHY015230

Phytochemical name: 2,4-Dimethylbenzaldehyde

Synonymous chemical names:
2,4-dimethylbenzaldehyde

External chemical identifiers:
CID:61814, ZINC:ZINC000001850617, FDASRS:I06YU18H4A, SureChEMBL:SCHEMBL95501, MolPort-001-783-166

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Chemical structure information

SMILES:
O=Cc1ccc(cc1C)C

InChI:
InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3

InChIKey:
GISVICWQYMUPJF-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6C)))C

Functional groups:
cC=O

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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: Benzoyl derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: -0.489

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Chemical structure download