Summary

IMPPAT Phytochemical identifier: IMPHY016306

Phytochemical name: 2,4-Dimethoxybenzaldehyde

Synonymous chemical names:
2,4-dimethoxybenzaldehyde

External chemical identifiers:
CID:69175, ChEMBL:CHEMBL234216, ZINC:ZINC000000157150, FDASRS:MM3U32AQ5F, SureChEMBL:SCHEMBL96291, MolPort-000-145-932

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Chemical structure information

SMILES:
COc1cc(OC)ccc1C=O

InChI:
InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3

InChIKey:
LWRSYTXEQUUTKW-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6C=O

Functional groups:
cC=O, cOC

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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: Methoxybenzenes

NP-Likeness score: 0.01

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Chemical structure download