2-(2-hydroxy-2-phenylethoxy)phenol

• ChemBase ID: 259408
• Molecular Formular: C14H14O3
• Molecular Mass: 230.25916
• Monoisotopic Mass: 230.09429431
• SMILES: O(c1c(O)cccc1)CC(c1ccccc1)O
• Canonical SMILES: OC(c1ccccc1)COc1ccccc1O
• InChI: InChI=1S/C14H14O3/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2
• InChIKey: GPCWYPVIFBLEET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxy-2-phenylethoxy)phenol
• IUPAC Traditional name: 2-(2-hydroxy-2-phenylethoxy)phenol
• Synonyms: 2-(2-hydroxy-2-phenylethoxy)phenol

Database IDs

• MDL Number: MFCD02706243
• PubChem SID: 164315318
• PubChem CID: 555174

CALCULATED PROPERTIES

• Acid pKa: 9.951495
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.606132
• LogD (pH = 7.4): 2.6049373
• Log P: 2.6061473
• Molar Refractivity: 65.0772 cm^3
• Polarizability: 25.500631 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.021

Product Information

• Purity: 95%