1-(2-hydroxy-5-phenylphenyl)ethan-1-one

• ChemBase ID: 266421
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: c1(cc(ccc1O)c1ccccc1)C(=O)C
• Canonical SMILES: CC(=O)c1cc(ccc1O)c1ccccc1
• InChI: InChI=1S/C14H12O2/c1-10(15)13-9-12(7-8-14(13)16)11-5-3-2-4-6-11/h2-9,16H,1H3
• InChIKey: UJPXBWSJJVPTTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxy-5-phenylphenyl)ethan-1-one
• IUPAC Traditional name: 1-(2-hydroxy-5-phenylphenyl)ethanone
• Synonyms: 1-(2-hydroxy-5-phenylphenyl)ethan-1-one

Database IDs

• MDL Number: MFCD06802890
• PubChem SID: 164322331
• PubChem CID: 12264992

CALCULATED PROPERTIES

• Acid pKa: 10.049313
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5245411
• LogD (pH = 7.4): 3.5235877
• Log P: 3.5245533
• Molar Refractivity: 63.5779 cm^3
• Polarizability: 25.671293 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 3.803

Product Information

• Purity: 95%