phenyl(thiophen-2-yl)methanol

• ChemBase ID: 86184
• Molecular Formular: C11H10OS
• Molecular Mass: 190.2615
• Monoisotopic Mass: 190.04523594
• SMILES: s1c(ccc1)C(c1ccccc1)O
• Canonical SMILES: OC(c1cccs1)c1ccccc1
• InChI: InChI=1S/C11H10OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11-12H
• InChIKey: AASDNBSTNIJBFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(thiophen-2-yl)methanol
• IUPAC Traditional name: phenyl(thiophen-2-yl)methanol
• Synonyms: phenyl(2-thienyl)methanol

Database IDs

• MDL Number: MFCD00277660
• PubChem SID: 162073300
• PubChem CID: 2741016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9030175
• LogD (pH = 7.4): 2.903017
• Log P: 2.9030175
• Molar Refractivity: 54.0466 cm^3
• Polarizability: 21.02434 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.33294