2-(thiophen-2-yl)phenol

• ChemBase ID: 289038
• Molecular Formular: C10H8OS
• Molecular Mass: 176.23492
• Monoisotopic Mass: 176.02958588
• SMILES: Oc1ccccc1c1cccs1
• Canonical SMILES: Oc1ccccc1c1cccs1
• InChI: InChI=1S/C10H8OS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7,11H
• InChIKey: IGXFRPBULGVNKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)phenol
• IUPAC Traditional name: 2-(thiophen-2-yl)phenol
• Synonyms: 2-(Thiophen-2-yl)phenol

Database IDs

• CAS Number: 106584-13-8
• MDL Number: MFCD06801791
• PubChem SID: 180674569
• PubChem CID: 3564195

CALCULATED PROPERTIES

• Acid pKa: 9.290713
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0939841
• LogD (pH = 7.4): 3.08854
• Log P: 3.094054
• Molar Refractivity: 50.065 cm^3
• Polarizability: 20.564116 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%