[2-(2-methoxyethoxy)phenyl]methanol

• ChemBase ID: 236014
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: c1(c(OCCOC)cccc1)CO
• Canonical SMILES: COCCOc1ccccc1CO
• InChI: InChI=1S/C10H14O3/c1-12-6-7-13-10-5-3-2-4-9(10)8-11/h2-5,11H,6-8H2,1H3
• InChIKey: HXEBVCPVUXBLLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11149625
• PubChem SID: 164291924
• PubChem CID: 28562677

CALCULATED PROPERTIES

• Acid pKa: 14.705205
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0012493
• LogD (pH = 7.4): 1.0012492
• Log P: 1.0012493
• Molar Refractivity: 50.3806 cm^3
• Polarizability: 19.677925 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.913

Product Information

• Purity: 95%