Molecule ID: 100615

IUPAC Name: 3-(2,3-dihydroxy-5-methylphenoxy)-5-methylbenzene-1,2-diol

Description: The molecule is an aromatic ether in which the ether functionality links two 2,3-dihydroxy-5-methylphenyl groups. Fungal metabolite isolated inter alia from Aspergillus spp. It has a role as a mycotoxin and a metabolite. It is a member of catechols and an aromatic ether.

SMILES: Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1

SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][P][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][O][=C][Ring2][Ring1][C]

InChI: InChI=1S/C14H14O5/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,15-18H,1-2H3

Molecular Properties:
- Polar Surface Area: 90.2 Ų
- LogP: 2.8