Molecule ID: 11952901

IUPAC Name: 3,4,5-tribromo-2-(2,4-dibromophenoxy)phenol

Description: The molecule is an organobromine compound that is 3,4,5-tribromophenol substituted at position 2 by a 2,4-dibromophenoxy group. Isolated from the marine sponge Dysidea, it exhibits calcium channel modulatory activity. It has a role as a metabolite and a calcium channel modulator. It is a member of phenols, an organobromine compound and an aromatic ether.

SMILES: Oc1cc(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br

SELFIES: [O][C][=C][C][Branch1][C][Br][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][=Branch2][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br]

InChI: InChI=1S/C12H5Br5O2/c13-5-1-2-9(6(14)3-5)19-12-8(18)4-7(15)10(16)11(12)17/h1-4,18H

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 6.6