Summary

IMPPAT Phytochemical identifier: IMPHY007676

Phytochemical name: Benzyl 2-hydroxy-5-methoxybenzoate

Synonymous chemical names:
benzyl 2-hydroxy-5-methoxybenzoate

External chemical identifiers:
CID:7430404, ZINC:ZINC000004952716, SureChEMBL:SCHEMBL7719669

---

Chemical structure information

SMILES:
COc1ccc(c(c1)C(=O)OCc1ccccc1)O

InChI:
InChI=1S/C15H14O4/c1-18-12-7-8-14(16)13(9-12)15(17)19-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3

InChIKey:
GZYORCWEKZDWCP-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)C=O)OCcccccc6))))))))))O

Functional groups:
cC(=O)OC, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OCc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(OCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)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: -0.212

---

Chemical structure download