Summary

IMPPAT Phytochemical identifier: IMPHY006278

Phytochemical name: 2-Hydroxy-6-methoxybenzoic acid

Synonymous chemical names:
2-hydroxy-6-methoxy benzoic acid, 2-hydroxy-6-methoxy-benzoic acid, 2-hydroxy-6-methoxybenzoic acid, 2-hydroxy-6-methoxybenzoic-acid, 2-oh-6-meo benzoic acid, 6-methoxy-salicylic-acid

External chemical identifiers:
CID:591524, ChEMBL:CHEMBL3093473, ChEBI:169986, ZINC:ZINC000000160506, SureChEMBL:SCHEMBL973470, MolPort-001-760-604

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Chemical structure information

SMILES:
COc1cccc(c1C(=O)O)O

InChI:
InChI=1S/C8H8O4/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,9H,1H3,(H,10,11)

InChIKey:
AAUQLHHARJUJEH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6C=O)O)))O

Functional groups:
cC(=O)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: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.619

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Chemical structure download