1-(4-methoxyphenyl)-1-phenylethan-1-ol

• ChemBase ID: 80861
• Molecular Formular: C15H16O2
• Molecular Mass: 228.28634
• Monoisotopic Mass: 228.11502975
• SMILES: OC(c1ccc(cc1)OC)(c1ccccc1)C
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)(O)C
• InChI: InChI=1S/C15H16O2/c1-15(16,12-6-4-3-5-7-12)13-8-10-14(17-2)11-9-13/h3-11,16H,1-2H3
• InChIKey: RYESRDXJZHXPKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-1-phenylethan-1-ol
• IUPAC Traditional name: 1-(4-methoxyphenyl)-1-phenylethanol
• Synonyms: 1-(4-methoxyphenyl)-1-phenylethan-1-ol

Database IDs

• MDL Number: MFCD00118566
• PubChem SID: 162067980
• PubChem CID: 2776677

CALCULATED PROPERTIES

• Acid pKa: 13.61737
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.974322
• LogD (pH = 7.4): 2.9743218
• Log P: 2.974322
• Molar Refractivity: 68.4591 cm^3
• Polarizability: 26.750072 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true