1-methyl-2-(2-methylphenoxy)benzene

• ChemBase ID: 85301
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: O(c1c(cccc1)C)c1ccccc1C
• Canonical SMILES: Cc1ccccc1Oc1ccccc1C
• InChI: InChI=1S/C14H14O/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2/h3-10H,1-2H3
• InChIKey: CYXMOAZSOPXQOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-(2-methylphenoxy)benzene
• IUPAC Traditional name: benzene,1,1'-oxybis(2-methyl)-
• Synonyms: 1-methyl-2-(2-methylphenoxy)benzene

Database IDs

• MDL Number: MFCD00035807
• PubChem SID: 162072417
• PubChem CID: 78462

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5003757
• LogD (pH = 7.4): 4.5003757
• Log P: 4.5003757
• Molar Refractivity: 62.3812 cm^3
• Polarizability: 24.243122 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true