[3-(thiophen-2-yl)phenyl]methanol

• ChemBase ID: 92517
• Molecular Formular: C11H10OS
• Molecular Mass: 190.2615
• Monoisotopic Mass: 190.04523594
• SMILES: s1cccc1c1cccc(c1)CO
• Canonical SMILES: OCc1cccc(c1)c1cccs1
• InChI: InChI=1S/C11H10OS/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7,12H,8H2
• InChIKey: SATFADRDDGOLJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(thiophen-2-yl)phenyl]methanol
• IUPAC Traditional name: [3-(thiophen-2-yl)phenyl]methanol
• Synonyms: (3-thien-2-ylphenyl)methanol; (3-Thien-2-ylphenyl)methanol 97%

Database IDs

• CAS Number: 103669-00-7
• MDL Number: MFCD06203108
• PubChem SID: 162079215
• PubChem CID: 7537586

CALCULATED PROPERTIES

• Acid pKa: 14.924858
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6302695
• LogD (pH = 7.4): 2.6302695
• Log P: 2.6302695
• Molar Refractivity: 54.9 cm^3
• Polarizability: 22.415022 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46-48°C

Product Information

• Purity: 97%