[3-(phenoxymethyl)phenyl]methanol

• ChemBase ID: 101452
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: O(Cc1cc(CO)ccc1)c1ccccc1
• Canonical SMILES: OCc1cccc(c1)COc1ccccc1
• InChI: InChI=1S/C14H14O2/c15-10-12-5-4-6-13(9-12)11-16-14-7-2-1-3-8-14/h1-9,15H,10-11H2
• InChIKey: ZKZSJQJXKWKOJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(phenoxymethyl)phenyl]methanol
• IUPAC Traditional name: [3-(phenoxymethyl)phenyl]methanol
• Synonyms: [3-(phenoxymethyl)phenyl]methanol

Database IDs

• CAS Number: 34904-99-9
• MDL Number: MFCD09025916
• PubChem SID: 162087970
• PubChem CID: 12399930

CALCULATED PROPERTIES

• Acid pKa: 14.977871
• 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: 24.907013 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%