[2-(oxolan-2-ylmethoxy)phenyl]methanol

• ChemBase ID: 285700
• Molecular Formular: C12H16O3
• Molecular Mass: 208.25364
• Monoisotopic Mass: 208.10994437
• SMILES: c1(c(OCC2OCCC2)cccc1)CO
• Canonical SMILES: OCc1ccccc1OCC1CCCO1
• InChI: InChI=1S/C12H16O3/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-2,4,6,11,13H,3,5,7-9H2
• InChIKey: IGKCJUNAEKKZBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(oxolan-2-ylmethoxy)phenyl]methanol
• IUPAC Traditional name: [2-(oxolan-2-ylmethoxy)phenyl]methanol
• Synonyms: [2-(oxolan-2-ylmethoxy)phenyl]methanol

Database IDs

• MDL Number: MFCD11149628
• PubChem SID: 180671231
• PubChem CID: 23136470

CALCULATED PROPERTIES

• Acid pKa: 14.705051
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4668138
• LogD (pH = 7.4): 1.4668138
• Log P: 1.4668138
• Molar Refractivity: 57.5918 cm^3
• Polarizability: 22.631384 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.388

Product Information

• Purity: 95%