4-methyl-2-phenylthiophene

• ChemBase ID: 79669
• Molecular Formular: C11H10S
• Molecular Mass: 174.2621
• Monoisotopic Mass: 174.05032132
• SMILES: s1c(cc(c1)C)c1ccccc1
• Canonical SMILES: Cc1csc(c1)c1ccccc1
• InChI: InChI=1S/C11H10S/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-8H,1H3
• InChIKey: HDHULNAHLSPUMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-phenylthiophene
• IUPAC Traditional name: 4-methyl-2-phenylthiophene
• Synonyms: 4-methyl-2-phenylthiophene

Database IDs

• MDL Number: MFCD00204087
• PubChem SID: 162044432
• PubChem CID: 2775310

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9110405
• LogD (pH = 7.4): 3.9110405
• Log P: 3.9110405
• Molar Refractivity: 53.1253 cm^3
• Polarizability: 21.775425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true