5-Methoxyindole | SBID = 393 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 25.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 2.1
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 119.2
Sum Formula: C9H9NO
M / g/mol: 147.177
Complexity: 138.0
Number of Conformers: 2.0

Identifiers

  • Tags:
  • Name: 5-Methoxyindole
  • Preferred Abbreviation: 5-Methoxyindole
  • IUPAC Name: 5-methoxy-1H-indole
  • CAS: 1006-94-6
  • CID: 13872
  • InChiKey: DWAQDRSOVMLGRQ-UHFFFAOYSA-N
  • InChi: InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
  • CanoSmiles: COC1=CC2=C(C=C1)NC=C2
  • IsoSmiles: COC1=CC2=C(C=C1)NC=C2