3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-one | SBID = 226 | Compound | Custom Molecule

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
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: C20H18O6
M / g/mol: 354.36
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-one
  • Preferred Abbreviation: 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-onety
  • IUPAC Name: 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-4-hydroxy-7-methoxy-2H-chromen-2-one
  • CAS:
  • CID: -16
  • InChiKey: VWYAUGYWGHKEBS-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H18O6/c1-3-11-8-13-16(10-15(11)23-2)26-20(22)18(19(13)21)12-4-5-14-17(9-12)25-7-6-24-14/h4-5,8-10,21H,3,6-7H2,1-2H3
  • CanoSmiles: COC1=C(CC)C=C2C(OC(C(C3=CC(OCCO4)=C4C=C3)=C2O)=O)=C1
  • IsoSmiles: O=C1C(C2=CC=C3OCCOC3=C2)=C(O)C4=C(O1)C=C(OC)C(CC)=C4