2-Hydroxynaphthalene-triethylene-glycol | SBID = 208 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge:
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C16H20O4
M / g/mol: 276.33
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest
  • Name: 2-Hydroxynaphthalene-triethylene-glycol
  • Preferred Abbreviation: 2-Hydroxynaphthalene-triethylene-glycol
  • IUPAC Name: 2-(2-(2-(naphthalen-2-yloxy)ethoxy)ethoxy)ethan-1-ol
  • CAS:
  • CID: -12
  • InChiKey: HQLUTBNTVOCXTI-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H20O4/c17-7-8-18-9-10-19-11-12-20-16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13,17H,7-12H2
  • CanoSmiles: OCCOCCOCCOC1=CC2=CC=CC=C2C=C1
  • IsoSmiles: OCCOCCOCCOC1=CC2=CC=CC=C2C=C1