2-phenoxyphenol

• ChemBase ID: 294709
• Molecular Formular: C12H10O2
• Molecular Mass: 186.2066
• Monoisotopic Mass: 186.06807956
• SMILES: Oc1c(Oc2ccccc2)cccc1
• Canonical SMILES: Oc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C12H10O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,13H
• InChIKey: KDTZBYPBMTXCSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxyphenol
• IUPAC Traditional name: 2-hydroxydiphenyl ether
• Synonyms: 2-Phenoxyphenol

Database IDs

• CAS Number: 2417-10-9
• MDL Number: MFCD00093034
• PubChem SID: 180680240
• PubChem CID: 75491

CALCULATED PROPERTIES

• Acid pKa: 8.458813
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1694937
• LogD (pH = 7.4): 3.1338646
• Log P: 3.1699677
• Molar Refractivity: 54.2797 cm^3
• Polarizability: 21.270851 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%