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

• ChemBase ID: 77216
• Molecular Formular: C11H10OS
• Molecular Mass: 190.2615
• Monoisotopic Mass: 190.04523594
• SMILES: s1c(ccc1)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1c1cccs1
• InChI: InChI=1S/C11H10OS/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7,12H,8H2
• InChIKey: IUULMJAEIKVTKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 773872-97-2
• MDL Number: MFCD06203081
• PubChem SID: 162042089
• PubChem CID: 2795559

CALCULATED PROPERTIES

• Acid pKa: 15.104806
• 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: 22.416702 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 97%