Summary

IMPPAT Phytochemical identifier: IMPHY008706

Phytochemical name: Ethyl 2,4-dihydroxybenzoate

Synonymous chemical names:
ethyl 2, 4-dihydroxybenzoate

External chemical identifiers:
CID:821388, ChEMBL:CHEMBL466810, ZINC:ZINC000000338209, SureChEMBL:SCHEMBL2543216

---

Chemical structure information

SMILES:
CCOC(=O)c1ccc(cc1O)O

InChI:
InChI=1S/C9H10O4/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5,10-11H,2H2,1H3

InChIKey:
BRDIPNLKURUXCU-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)cccccc6O)))O

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: 0.318

---

Chemical structure download