Molecule ID: 70698390

IUPAC Name: 5-[(2-methoxyphenyl)-methylphosphoryl]pent-4-ynoic acid

Description: The molecule is a phosphine oxide in which the substituents on phosphorus are 4-carboxybut-1-yn-1-yl, methyl and 2-methoxyphenyl. It is a phosphine oxide and an acetylenic compound.

SMILES: COc1ccccc1P(C)(=O)C#CCCC(=O)O

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

InChI: InChI=1S/C13H15O4P/c1-17-11-7-3-4-8-12(11)18(2,16)10-6-5-9-13(14)15/h3-4,7-8H,5,9H2,1-2H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.2