Molecule ID: 6421933

IUPAC Name: 2-[butyl(ethoxy)phosphoryl]oxyethylbenzene

Description: The molecule is a phosphonic ester obtained by the esterification of both the hydroxy groups of butylphosphonic acid with ethanol and 2-phenylethanol respectively. It has a role as a metabolite. It derives from a butylphosphonic acid.

SMILES: CCCCP(=O)(OCC)OCCc1ccccc1

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

InChI: InChI=1S/C14H23O3P/c1-3-5-13-18(15,16-4-2)17-12-11-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3

Molecular Properties:
- Polar Surface Area: 35.5 Ų
- LogP: 3.0