(2,4,6-trimethylphenyl)gold

• ChemBase ID: 125068
• Molecular Formular: C9H11Au
• Molecular Mass: 316.15019
• Monoisotopic Mass: 316.05264335
• SMILES: Cc1cc(C)c([Au])c(C)c1
• Canonical SMILES: Cc1cc(C)c(c(c1)C)[Au]
• InChI: InChI=1S/C9H11.Au/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3
• InChIKey: VUMCLWYYCJSHBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,6-trimethylphenyl)gold
• IUPAC Traditional name: (2,4,6-trimethylphenyl)gold
• Synonyms: Mesitylgold; Mesitylgold(I); (2,4,6-Trimethylphenyl)gold(I); (2,4,6-Trimethylphenyl)gold

Database IDs

• CAS Number: 89359-21-7
• PubChem SID: 162219418
• PubChem CID: 19877937
• Chemspider ID: 14451398
• Wikipedia Title: (2,4,6-Trimethylphenyl)gold

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0338
• LogD (pH = 7.4): 3.0338
• Log P: 3.0338
• Molar Refractivity: 40.5979 cm^3
• Polarizability: 22.22537 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true