Summary

IMPPAT Phytochemical identifier: IMPHY017522

Phytochemical name: Methyl 2-hydroxy-6-methylbenzoate

Synonymous chemical names:
methyl-6-methylsalicylate

External chemical identifiers:
CID:584223, ZINC:ZINC000014488785, FDASRS:7I0LI71IJ1, SureChEMBL:SCHEMBL9545793, MolPort-020-261-101

---

Chemical structure information

SMILES:
COC(=O)c1c(C)cccc1O

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

InChIKey:
GPNCYIZKJTXKRO-UHFFFAOYSA-N

DeepSMILES:
COC=O)ccC)cccc6O

Functional groups:
cC(=O)OC, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

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: 0.267

---

Chemical structure download