Molecule ID: 101914836

IUPAC Name: 2-phenylethyl 2-(1H-indol-3-yl)acetate

Description: The molecule is a carboxylic ester resulting from the formal condensation of the carboxy group of indole-3-acetic acid with the hydroxy group of 2-phenylethanol. It has a role as an antifungal agent and a fungal metabolite. It is a member of indoles and a carboxylic ester. It derives from a 2-phenylethanol and an indole-3-acetic acid.

SMILES: O=C(Cc1c[nH]c2ccccc12)OCCc1ccccc1

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

InChI: InChI=1S/C18H17NO2/c20-18(21-11-10-14-6-2-1-3-7-14)12-15-13-19-17-9-5-4-8-16(15)17/h1-9,13,19H,10-12H2

Molecular Properties:
- Polar Surface Area: 42.1 Ų
- LogP: 3.7