2-(2,4,6-trimethylphenyl)quinoxaline

• ChemBase ID: 724826
• Molecular Formular: C17H16N2
• Molecular Mass: 248.32234
• Monoisotopic Mass: 248.13134852
• SMILES: n1c(c2c(cc(cc2C)C)C)cnc2c1cccc2
• Canonical SMILES: Cc1cc(C)c(c(c1)C)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C17H16N2/c1-11-8-12(2)17(13(3)9-11)16-10-18-14-6-4-5-7-15(14)19-16/h4-10H,1-3H3
• InChIKey: CQOJFGMYUDYYHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4,6-trimethylphenyl)quinoxaline
• IUPAC Traditional name: 2-(2,4,6-trimethylphenyl)quinoxaline
• Synonyms: 2-mesitylquinoxaline

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8723807
• LogD (pH = 7.4): 4.872418
• Log P: 4.8724184
• Molar Refractivity: 77.3382 cm^3
• Polarizability: 32.52004 Å^3
• Polar Surface Area: 25.78 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 1
• H Acceptors: 2
• H Donor: 0
• Log P: 4.28
• LOG S: -4.66
• Polar Surface Area: 25.78 Å^2