3-(2-phenylethoxy)benzoic acid

• ChemBase ID: 307786
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: C(=O)(c1cc(OCCc2ccccc2)ccc1)O
• Canonical SMILES: OC(=O)c1cccc(c1)OCCc1ccccc1
• InChI: InChI=1S/C15H14O3/c16-15(17)13-7-4-8-14(11-13)18-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,16,17)
• InChIKey: CBKMKWATRHJMKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-phenylethoxy)benzoic acid
• IUPAC Traditional name: 3-(2-phenylethoxy)benzoic acid
• Synonyms: 3-(2-phenylethoxy)benzoic acid

Database IDs

• CAS Number: 123470-94-0
• MDL Number: MFCD06801171

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8212539
• LogD (pH = 7.4): 0.24200533
• Log P: 3.486292
• Molar Refractivity: 69.145 cm^3
• Polarizability: 26.524801 Å^3
• Polar Surface Area: 46.53 Å^2