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

• ChemBase ID: 265547
• Molecular Formular: C12H12O2S
• Molecular Mass: 220.28748
• Monoisotopic Mass: 220.05580062
• SMILES: s1c(ccc1)COc1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)OCc1cccs1
• InChI: InChI=1S/C12H12O2S/c13-8-10-3-5-11(6-4-10)14-9-12-2-1-7-15-12/h1-7,13H,8-9H2
• InChIKey: UZNGEKMXBSLGLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(thiophen-2-ylmethoxy)phenyl]methanol
• IUPAC Traditional name: [4-(thiophen-2-ylmethoxy)phenyl]methanol
• Synonyms: [4-(thiophen-2-ylmethoxy)phenyl]methanol

Database IDs

• MDL Number: MFCD07359796
• PubChem SID: 164321457
• PubChem CID: 2985788

CALCULATED PROPERTIES

• Acid pKa: 15.019371
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6855793
• LogD (pH = 7.4): 2.6855793
• Log P: 2.6855793
• Molar Refractivity: 60.8396 cm^3
• Polarizability: 23.542822 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 2.437

Product Information

• Purity: 95%