Summary

IMPPAT Phytochemical identifier: IMPHY015150

Phytochemical name: 1-(2-Butoxyethoxy)-2-propanol

Synonymous chemical names:
1-(2-butoxyethoxy)- 2-propanol

External chemical identifiers:
CID:31287, FDASRS:278Y96Q13O, SureChEMBL:SCHEMBL232613

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Chemical structure information

SMILES:
CCCCOCCOCC(O)C

InChI:
InChI=1S/C9H20O3/c1-3-4-5-11-6-7-12-8-9(2)10/h9-10H,3-8H2,1-2H3

InChIKey:
NPMRPDRLIHYOBW-UHFFFAOYSA-N

DeepSMILES:
CCCCOCCOCCO)C

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: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: -0.051

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Chemical structure download