[2-(phenoxymethyl)phenyl]methanol

• ChemBase ID: 92230
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: OCc1ccccc1COc1ccccc1
• Canonical SMILES: OCc1ccccc1COc1ccccc1
• InChI: InChI=1S/C14H14O2/c15-10-12-6-4-5-7-13(12)11-16-14-8-2-1-3-9-14/h1-9,15H,10-11H2
• InChIKey: RMRTWBZKENSMCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(phenoxymethyl)phenyl]methanol
• IUPAC Traditional name: [2-(phenoxymethyl)phenyl]methanol
• Synonyms: [2-(phenoxymethyl)phenyl]methanol; 2-(Phenoxymethyl)phenylmethanol 97%

Database IDs

• CAS Number: 34904-98-8
• MDL Number: MFCD08690312
• PubChem SID: 162078928
• PubChem CID: 22932170

CALCULATED PROPERTIES

• Acid pKa: 14.919789
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.772698
• LogD (pH = 7.4): 2.772698
• Log P: 2.772698
• Molar Refractivity: 63.9497 cm^3
• Polarizability: 24.907015 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49.5-50.0°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%