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

• ChemBase ID: 74060
• Molecular Formular: C11H10OS
• Molecular Mass: 190.2615
• Monoisotopic Mass: 190.04523594
• SMILES: s1c(ccc1)c1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)c1cccs1
• InChI: InChI=1S/C11H10OS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7,12H,8H2
• InChIKey: KHZSWSHUIYOMSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(thiophen-2-yl)phenyl]methanol
• IUPAC Traditional name: [4-(thiophen-2-yl)phenyl]methanol
• Synonyms: (4-thien-2-ylphenyl)methanol; 4-(Thien-2-yl)benzyl alcohol

Database IDs

• CAS Number: 16939-04-1; 81443-44-9
• MDL Number: MFCD06203037
• PubChem SID: 162038979
• PubChem CID: 2795254

CALCULATED PROPERTIES

• Acid pKa: 14.957331
• 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: 22.414608 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-61°C
• Boiling Point: 311.5°C
• Flash Point: 115.8°C

Safety Information

• Storage Warning: Irritant/Moisture Sensitive

Product Information

• Purity: 97%