Summary

IMPPAT Phytochemical identifier: IMPHY013126

Phytochemical name: Benzyl palmitate

Synonymous chemical names:
benzyl palmitate

External chemical identifiers:
CID:13908925, ChEMBL:CHEMBL136551, ZINC:ZINC000043381958, FDASRS:V5DZS5IE7C, SureChEMBL:SCHEMBL1356933, MolPort-047-144-869

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OCc1ccccc1

InChI:
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(24)25-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3

InChIKey:
CKEVMZSLVHLLBF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCcccccc6

Functional groups:
COC(C)=O

---

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: Benzyloxycarbonyls

NP-Likeness score: 0.015

---

Chemical structure download