Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004789

Phytochemical name: 1-Butoxy-2-propanol

Synonymous chemical names:
2-propanol 1-butoxy, 1-butoxy-2-propanol

External chemical identifiers:
CID:CID_21210, ChEMBL:CHEMBL1903014, FDASRS:K0MR13CZ2E, SureChEMBL:SCHEMBL15902

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Chemical structure information

SMILES:
CCCCOCC(O)C

InChI:
InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3

InChIKey:
RWNUSVWFHDHRCJ-UHFFFAOYSA-N

DeepSMILES:
CCCCOCCO)C

Functional groups:
COC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.171

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Chemical structure download