2-(4-methoxyphenyl)thiophene

• ChemBase ID: 86100
• Molecular Formular: C11H10OS
• Molecular Mass: 190.2615
• Monoisotopic Mass: 190.04523594
• SMILES: s1c(ccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cccs1
• InChI: InChI=1S/C11H10OS/c1-12-10-6-4-9(5-7-10)11-3-2-8-13-11/h2-8H,1H3
• InChIKey: TWKDIVDAGCWHES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)thiophene
• IUPAC Traditional name: 2-(4-methoxyphenyl)thiophene
• Synonyms: 2-(4-methoxyphenyl)thiophene

Database IDs

• CAS Number: 42545-43-7
• MDL Number: MFCD00204185
• PubChem SID: 162073216
• PubChem CID: 2769425

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.239948
• LogD (pH = 7.4): 3.239948
• Log P: 3.239948
• Molar Refractivity: 54.5473 cm^3
• Polarizability: 22.477507 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true