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

• ChemBase ID: 87985
• Molecular Formular: C11H10OS
• Molecular Mass: 190.2615
• Monoisotopic Mass: 190.04523594
• SMILES: s1ccc(c1)c1cc(ccc1)CO
• Canonical SMILES: OCc1cccc(c1)c1cscc1
• InChI: InChI=1S/C11H10OS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-6,8,12H,7H2
• InChIKey: VSWBZMMHNMDWJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 89929-82-8
• MDL Number: MFCD06203083
• PubChem SID: 162075025
• PubChem CID: 7164662

CALCULATED PROPERTIES

• Acid pKa: 14.95814
• 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: 22.408804 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-90°C

Product Information

• Purity: 95%