Summary

IMPPAT Phytochemical identifier: IMPHY012099

Phytochemical name: 2-Butoxyethanol

Synonymous chemical names:
2-butoxyethanol, ethanol, 2-butoxy

External chemical identifiers:
CID:8133, ChEMBL:CHEMBL284588, ChEBI:63921, ZINC:ZINC000001690437, FDASRS:I0P9XEZ9WV, SureChEMBL:SCHEMBL15712, MolPort-001-791-489

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Chemical structure information

SMILES:
CCCCOCCO

InChI:
InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3

InChIKey:
POAOYUHQDCAZBD-UHFFFAOYSA-N

DeepSMILES:
CCCCOCCO

Functional groups:
CO, COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.105

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Chemical structure download