(2R)-1-(2-methoxyphenyl)propan-2-ol

• ChemBase ID: 281790
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1(C[C@H](O)C)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C[C@H](O)C
• InChI: InChI=1S/C10H14O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8,11H,7H2,1-2H3/t8-/m1/s1
• InChIKey: ROVATSABYKBNCG-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-(2-methoxyphenyl)propan-2-ol
• IUPAC Traditional name: (2R)-1-(2-methoxyphenyl)propan-2-ol
• Synonyms: (2R)-1-(2-methoxyphenyl)propan-2-ol

Database IDs

• MDL Number: MFCD14705961
• PubChem SID: 180667321
• PubChem CID: 6951555

CALCULATED PROPERTIES

• Acid pKa: 15.494574
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.753461
• LogD (pH = 7.4): 1.753461
• Log P: 1.753461
• Molar Refractivity: 48.5109 cm^3
• Polarizability: 18.910265 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.561

Product Information

• Purity: 95%