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COCONUT Compound

2-Ethoxyethanol

CNP0319988.0 · C4H10O2 · View on COCONUT ↗

2D Structure

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Identifiers

Name2-Ethoxyethanol
IUPAC Name2-ethoxyethanol
COCONUT IDCNP0319988.0
CAS110-80-5
InChIKeyZNQVEEAIQZEUHB-UHFFFAOYSA-N
InChIInChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
SMILESCCOCCO

Properties

Molecular FormulaC4H10O2
Molecular Weight90.12
Exact Mass90.06808
Log P (ALogP)0.02
TPSA29.46
H-Bond Donors / Acceptors1 / 2
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.49
NP-likeness-0.06

Classification

NP PathwayFatty acids
NP SuperclassFatty acyls
NP ClassFatty alcohols
Chemical SuperclassOrganic oxygen compounds
Chemical ClassOrganooxygen compounds
Chemical SubclassEthers

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT

References (3)

  1. 10.1016/J.CHROMA.2004.03.057
  2. 10.1016/S0308-8146(00)00187-4
  3. 10.1096/fj.06-6927com

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.