Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol synonyms



Graphical representations:

1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol image

View large 3D structure

Molecular Formula: C10 H14 O4

Natural Isotopic Abundance Mass: 198.21576

Mono-Isotopic Molecular Masses:

  • C12N14: 198.0892089378
  • C13N14: 208.1227573158
  • C12N15: 198.0892089378
  • C13N15: 208.1227573158

InChI String: InChI=1S/C10H14O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-6,11-12H,1-3H3/t6-/m1/s1

Canonical and Isomeric SMILES: CC(C1=CC(=C(C(=C1)OC)O)OC)O


PubChem Substance (SID):   111677909
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 12
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,