(1R)-1-(4-fluoro-2-methoxyphenyl)ethan-1-ol

• ChemBase ID: 278530
• Molecular Formular: C9H11FO2
• Molecular Mass: 170.1808432
• Monoisotopic Mass: 170.07430781
• SMILES: c1(c(cc(cc1)F)OC)[C@H](O)C
• Canonical SMILES: COc1cc(F)ccc1[C@H](O)C
• InChI: InChI=1S/C9H11FO2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-6,11H,1-2H3/t6-/m1/s1
• InChIKey: AQZVUWCKRCLTJL-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(4-fluoro-2-methoxyphenyl)ethan-1-ol
• IUPAC Traditional name: (1R)-1-(4-fluoro-2-methoxyphenyl)ethanol
• Synonyms: (1R)-1-(4-fluoro-2-methoxyphenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD18340616
• PubChem SID: 164334440
• PubChem CID: 54594911

CALCULATED PROPERTIES

• Acid pKa: 14.501242
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6075017
• LogD (pH = 7.4): 1.6075017
• Log P: 1.6075017
• Molar Refractivity: 43.9723 cm^3
• Polarizability: 16.832794 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.615

Product Information

• Purity: 95%