(1R)-1-[4-(thiophen-2-yl)phenyl]ethan-1-ol

• ChemBase ID: 280768
• Molecular Formular: C12H12OS
• Molecular Mass: 204.28808
• Monoisotopic Mass: 204.060886
• SMILES: c1(sccc1)c1ccc(cc1)[C@H](O)C
• Canonical SMILES: C[C@H](c1ccc(cc1)c1cccs1)O
• InChI: InChI=1S/C12H12OS/c1-9(13)10-4-6-11(7-5-10)12-3-2-8-14-12/h2-9,13H,1H3/t9-/m1/s1
• InChIKey: FMRQFCJATDAHLB-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-[4-(thiophen-2-yl)phenyl]ethan-1-ol
• IUPAC Traditional name: (1R)-1-[4-(thiophen-2-yl)phenyl]ethanol
• Synonyms: (1R)-1-(4-thien-2-ylphenyl)ethanol

Database IDs

• MDL Number: MFCD09863800
• PubChem SID: 180666299
• PubChem CID: 25324476

CALCULATED PROPERTIES

• Acid pKa: 14.756951
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0468445
• LogD (pH = 7.4): 3.0468445
• Log P: 3.0468445
• Molar Refractivity: 59.3188 cm^3
• Polarizability: 24.260838 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.157

Product Information

• Purity: 95%