Summary

IMPPAT Phytochemical identifier: IMPHY005653

Phytochemical name: 2-Octanol

Synonymous chemical names:
2-octanol, octan-2-ol

External chemical identifiers:
CID:20083, ChEMBL:CHEMBL510068, ChEBI:37869, FDASRS:66B0DD5E40, SureChEMBL:SCHEMBL23502, MolPort-001-779-759

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Chemical structure information

SMILES:
CCCCCCC(O)C

InChI:
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3

InChIKey:
SJWFXCIHNDVPSH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCO)C

Functional groups:
CO

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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: 1.415

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Chemical structure download