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COCONUT Compound

4-[2-(3-hydroxyphenyl)ethyl]-2,6-dimethoxyphenol

CNP0217478.0 · C16H18O4 · View on COCONUT ↗

2D Structure

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Identifiers

Name4-[2-(3-hydroxyphenyl)ethyl]-2,6-dimethoxyphenol
IUPAC Name4-[2-(3-hydroxyphenyl)ethyl]-2,6-dimethoxy-phenol
COCONUT IDCNP0217478.0
InChIKeyHJFGFCYQHBUEMB-UHFFFAOYSA-N
InChIInChI=1S/C16H18O4/c1-19-14-9-12(10-15(20-2)16(14)18)7-6-11-4-3-5-13(17)8-11/h3-5,8-10,17-18H,6-7H2,1-2H3
SMILESCOC1=CC(CCC2=CC=CC(O)=C2)=CC(OC)=C1O

Properties

Molecular FormulaC16H18O4
Molecular Weight274.32
Exact Mass274.12051
Log P (ALogP)2.90
TPSA58.92
H-Bond Donors / Acceptors2 / 4
Rotatable Bonds5
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.88
NP-likeness0.61

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassStilbenoids
NP ClassMonomeric stilbenes
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassStilbenes
Chemical SubclassStilbenes

Reported in GR-MAPs Plants

Saraca asoca as “Saraca asoca” in COCONUT

References (9)

  1. 10.1007/S10600-010-9742-Y
  2. 10.1007/S10600-010-9743-X
  3. 10.1016/J.BSE.2014.12.027
  4. 10.1016/S0031-9422(00)82362-6
  5. 10.1016/S0031-9422(96)00402-5
  6. 10.1055/S-2008-1074492
  7. 10.1080/14786419.2018.1455050
  8. 10.1080/14786419.2018.1527839
  9. 10.58837/CHULA.THE.2021.309

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.