Summary

IMPPAT Phytochemical identifier: IMPHY007171

Phytochemical name: 1-Hexanol

Synonymous chemical names:
1- hexanol, 1-hexanol, hexan- 1-ol, hexan-1-01, hexan-1-ol, hexanol, hexanol d, hexanol*, i-hexanol

External chemical identifiers:
CID:8103, ChEMBL:CHEMBL14085, ChEBI:87393, ZINC:ZINC000001699882, FDASRS:6CP2QER8GS, SureChEMBL:SCHEMBL1877, MolPort-001-779-716

---

Chemical structure information

SMILES:
CCCCCCO

InChI:
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

InChIKey:
ZSIAUFGUXNUGDI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO

Functional groups:
CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.072

---

Chemical structure download