[4-(thiophen-3-yl)phenyl]methanol

• ChemBase ID: 92625
• Molecular Formular: C11H10OS
• Molecular Mass: 190.2615
• Monoisotopic Mass: 190.04523594
• SMILES: s1ccc(c1)c1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)c1cscc1
• InChI: InChI=1S/C11H10OS/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-6,8,12H,7H2
• InChIKey: KEHJEXSFOWCTHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(thiophen-3-yl)phenyl]methanol
• IUPAC Traditional name: [4-(thiophen-3-yl)phenyl]methanol
• Synonyms: (4-thien-3-ylphenyl)methanol; (4-Thien-3-ylphenyl)methanol 97%

Database IDs

• CAS Number: 160278-20-6
• MDL Number: MFCD06203084
• PubChem SID: 162079323
• PubChem CID: 15186379

CALCULATED PROPERTIES

• Acid pKa: 14.984283
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6335633
• LogD (pH = 7.4): 2.6335633
• Log P: 2.6335633
• Molar Refractivity: 55.1159 cm^3
• Polarizability: 22.408356 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151.5-154°C

Product Information

• Purity: 97%