2-(diphenylmethoxy)acetic acid

• ChemBase ID: 251533
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: O(C(c1ccccc1)c1ccccc1)CC(=O)O
• Canonical SMILES: OC(=O)COC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H14O3/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
• InChIKey: KWGQOJWITMQEOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylmethoxy)acetic acid
• IUPAC Traditional name: (diphenylmethoxy)acetic acid
• Synonyms: (benzhydryloxy)acetic acid

Database IDs

• MDL Number: MFCD03077012
• PubChem SID: 164307443
• PubChem CID: 597513

CALCULATED PROPERTIES

• Acid pKa: 4.050766
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.650439
• LogD (pH = 7.4): -0.01798565
• Log P: 3.111246
• Molar Refractivity: 67.9925 cm^3
• Polarizability: 26.636543 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): 2.838

Product Information

• Purity: 95%