Molecule ID: 18986

IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)acetic acid

Description: The molecule is a member of the class of indole-3-acetic acids in which the hydrogen at position 5 of indole-3-acetic acid has been replaced by a methoxy group. It has a role as a Brassica napus metabolite, a human urinary metabolite, an antibacterial agent, a marine xenobiotic metabolite, a carcinogenic agent and a rat metabolite. It is a member of indole-3-acetic acids and an aromatic ether.

SMILES: COc1ccc2[nH]cc(CC(=O)O)c2c1

SELFIES: [C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N]

InChI: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 62.3 Ų
- LogP: 1.4