[2-(benzyloxy)-4-methoxyphenyl]methanol

• ChemBase ID: 45099
• Molecular Formular: C15H16O3
• Molecular Mass: 244.28574
• Monoisotopic Mass: 244.10994437
• SMILES: c1(c(ccc(c1)OC)CO)OCc1ccccc1
• Canonical SMILES: COc1ccc(c(c1)OCc1ccccc1)CO
• InChI: InChI=1S/C15H16O3/c1-17-14-8-7-13(10-16)15(9-14)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3
• InChIKey: BYCLDWGQVPKNON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(benzyloxy)-4-methoxyphenyl]methanol
• IUPAC Traditional name: [2-(benzyloxy)-4-methoxyphenyl]methanol
• Synonyms: [2-(Benzyloxy)-4-methoxyphenyl]methanol

Database IDs

• MDL Number: MFCD12922687
• PubChem SID: 162049862
• PubChem CID: 15141117

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 14.708794
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6150267
• LogD (pH = 7.4): 2.6150267
• Log P: 2.6150267
• Molar Refractivity: 70.4129 cm^3
• Polarizability: 27.408825 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5

PROPERTIES

Physical Property

• Melting Point: 68 - 69 °C; 68-69°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%