Summary

IMPPAT Phytochemical identifier: IMPHY007677

Phytochemical name: Benzyl 2-methoxybenzoate

Synonymous chemical names:
benzyl 2-methoxybenzoate

External chemical identifiers:
CID:584904, SureChEMBL:SCHEMBL8432905

---

Chemical structure information

SMILES:
COc1ccccc1C(=O)OCc1ccccc1

InChI:
InChI=1S/C15H14O3/c1-17-14-10-6-5-9-13(14)15(16)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3

InChIKey:
QEQSUVJMTPTKRW-UHFFFAOYSA-N

DeepSMILES:
COcccccc6C=O)OCcccccc6

Functional groups:
cC(=O)OC, 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: -0.528

---

Chemical structure download