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

• ChemBase ID: 40296
• Molecular Formular: C15H16O3
• Molecular Mass: 244.28574
• Monoisotopic Mass: 244.10994437
• SMILES: c1(OCc2ccccc2)c(ccc(c1)CO)OC
• Canonical SMILES: OCc1ccc(c(c1)OCc1ccccc1)OC
• InChI: InChI=1S/C15H16O3/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3
• InChIKey: USBKCBSYNCWKLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(benzyloxy)-4-methoxyphenyl]methanol
• IUPAC Traditional name: [3-(benzyloxy)-4-methoxyphenyl]methanol
• Synonyms: [3-(Benzyloxy)-4-methoxyphenyl]methanol; [3-(Benzyloxy)-4-methoxyphenyl]methanol; 3-(Benzyloxy)-4-methoxybenzyl alcohol

Database IDs

• CAS Number: 1860-60-2
• MDL Number: MFCD00183283
• PubChem SID: 162045059
• PubChem CID: 74622

CALCULATED PROPERTIES

• Acid pKa: 14.948769
• 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: 27.410093 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; >97%