(1R)-1-(3-methoxyphenyl)ethan-1-ol

• ChemBase ID: 261298
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: c1(cc(OC)ccc1)[C@H](O)C
• Canonical SMILES: COc1cccc(c1)[C@H](O)C
• InChI: InChI=1S/C9H12O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7,10H,1-2H3/t7-/m1/s1
• InChIKey: ZUBPFBWAXNCEOG-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(3-methoxyphenyl)ethan-1-ol
• IUPAC Traditional name: (1R)-1-(3-methoxyphenyl)ethanol
• Synonyms: (1R)-1-(3-methoxyphenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD09863668
• PubChem SID: 164317208
• PubChem CID: 10219539

CALCULATED PROPERTIES

• Acid pKa: 14.744173
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4647998
• LogD (pH = 7.4): 1.4647998
• Log P: 1.4647998
• Molar Refractivity: 43.7559 cm^3
• Polarizability: 17.139791 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 65°C
• Hydrophobicity(logP): 1.332

Product Information

• Purity: 95%