Summary

IMPPAT Phytochemical identifier: IMPHY006588

Phytochemical name: 2-Hydroxy-4-methoxybenzaldehyde

Synonymous chemical names:
2- hydroxy - 4-methoxy benzaldehyde, 2-hydroxy-4-methoxy-benzaldehyde, 2-hydroxy-4-methoxybenzaldehyde, 2-hydroxγ-4-methoxybenzaldehyde, benzaldehyde, 2-hydroxy-4-methoxy-, p-methoxy-salicylic-aldehyde

External chemical identifiers:
CID:69600, ChEMBL:CHEMBL350966, ZINC:ZINC000001420780, FDASRS:2N395P88LW, SureChEMBL:SCHEMBL133876, MolPort-000-881-520

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Chemical structure information

SMILES:
COc1ccc(c(c1)O)C=O

InChI:
InChI=1S/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3

InChIKey:
WZUODJNEIXSNEU-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)O))C=O

Functional groups:
cC=O, cO, 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: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.618

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Chemical structure download