4-(oxan-2-yloxy)phenol

• ChemBase ID: 289564
• Molecular Formular: C11H14O3
• Molecular Mass: 194.22706
• Monoisotopic Mass: 194.09429431
• SMILES: Oc1ccc(OC2CCCCO2)cc1
• Canonical SMILES: Oc1ccc(cc1)OC1CCCCO1
• InChI: InChI=1S/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2
• InChIKey: GFBCWCDNXDKFRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxan-2-yloxy)phenol
• IUPAC Traditional name: 4-(oxan-2-yloxy)phenol
• Synonyms: D-arbutin; Deoxyarbutin; 4-((Tetrahydro-2H-pyran-2-yl)oxy)phenol

Database IDs

• CAS Number: 53936-56-4
• PubChem SID: 180675095
• PubChem CID: 11745519

CALCULATED PROPERTIES

• Acid pKa: 9.832179
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4125564
• LogD (pH = 7.4): 2.4109828
• Log P: 2.4125764
• Molar Refractivity: 52.5356 cm^3
• Polarizability: 20.781021 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Purity: 95+%
• Salt Data: Free Base