BMRB

Biological Magnetic Resonance Data Bank


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

4-Hydroxyphenethyl Alcohol

4-Hydroxyphenethyl Alcohol bmse000173 - Data bmst000163 - Theory

4_hydroxyphenethyl_alcohol synonyms

p-Hydroxyphenethyl alcohol; 4-Hydroxyphenylethanol; 2-(P-HYDROXYPHENYL)ETHANOL; 4-Hydroxybenzeneethanol; Benzeneethanol, 4-hydroxy-; 2-(4-Hydroxyphenyl)ethanol

Wikipedia:

Graphical representations:

4_hydroxyphenethyl_alcohol

View large 3D structure

Molecular Formula: C8H10O2

Natural Isotopic Abundance Mass: 138.1638000000

Mono-Isotopic Molecular Masses:

  • C12N14: 138.068079565
  • C13N14: 146.094918268
  • C12N15: 138.068079565
  • C13N15: 146.094918268

InChI string: InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2

IUPAC: 4-(2-hydroxyethyl)phenol

PubChem Compound (CID): 10393
KEGG Compound ID: C06044
CAS Registry number: 501-94-0
EINECS: 207-930-8
NSC: 59876

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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, https://www.nature.com/articles/sdata201773)