2-(2-phenylethoxy)benzoic acid

• ChemBase ID: 307788
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c1(C(=O)O)c(OCCc2ccccc2)cccc1
• Canonical SMILES: OC(=O)c1ccccc1OCCc1ccccc1
• InChI: InChI=1S/C15H14O3/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
• InChIKey: FPFOIMVFHYUQTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylethoxy)benzoic acid
• IUPAC Traditional name: 2-(2-phenylethoxy)benzoic acid
• Synonyms: 2-(2-phenylethoxy)benzoic acid

Database IDs

• CAS Number: 883546-53-0
• MDL Number: MFCD06801170

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7063568
• LogD (pH = 7.4): 0.18879373
• Log P: 3.486292
• Molar Refractivity: 69.145 cm^3
• Polarizability: 26.527042 Å^3
• Polar Surface Area: 46.53 Å^2