(S)-(+)-1-Phenyl-1,2-ethanediol | SBID = 174 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 40.5
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 0.4
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 112.0
Sum Formula: C8H10O2
M / g/mol: 138.166
Complexity: 87.0
Number of Conformers: 8.0

Identifiers

  • Tags: aromatic
  • Name: (S)-(+)-1-Phenyl-1,2-ethanediol
  • Preferred Abbreviation: (S)-(+)-1-Phenyl-1,2-ethanediol
  • IUPAC Name: (1S)-1-phenylethane-1,2-diol
  • CAS: 25779-13-9
  • CID: 643312
  • InChiKey: PWMWNFMRSKOCEY-MRVPVSSYSA-N
  • InChi: InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m1/s1
  • CanoSmiles: C1=CC=C(C=C1)C(CO)O
  • IsoSmiles: C1=CC=C(C=C1)[C@@H](CO)O