[2-(benzyloxy)-3-ethoxyphenyl]methanol

• ChemBase ID: 244685
• Molecular Formular: C16H18O3
• Molecular Mass: 258.31232
• Monoisotopic Mass: 258.12559444
• SMILES: c1(OCc2ccccc2)c(CO)cccc1OCC
• Canonical SMILES: CCOc1cccc(c1OCc1ccccc1)CO
• InChI: InChI=1S/C16H18O3/c1-2-18-15-10-6-9-14(11-17)16(15)19-12-13-7-4-3-5-8-13/h3-10,17H,2,11-12H2,1H3
• InChIKey: XGSSYQQGMMJMGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(benzyloxy)-3-ethoxyphenyl]methanol
• IUPAC Traditional name: [2-(benzyloxy)-3-ethoxyphenyl]methanol
• Synonyms: [2-(benzyloxy)-3-ethoxyphenyl]methanol

Database IDs

• MDL Number: MFCD04515735
• PubChem SID: 164300595
• PubChem CID: 964400

CALCULATED PROPERTIES

• Acid pKa: 14.639183
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9718347
• LogD (pH = 7.4): 2.9718347
• Log P: 2.9718347
• Molar Refractivity: 75.1615 cm^3
• Polarizability: 29.253864 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.059

Product Information

• Purity: 95%