1-methyl-3-(3-methylphenoxy)benzene

• ChemBase ID: 85300
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: O(c1cc(ccc1)C)c1cccc(c1)C
• Canonical SMILES: Cc1cccc(c1)Oc1cccc(c1)C
• InChI: InChI=1S/C14H14O/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3-10H,1-2H3
• InChIKey: FDLFMPKQBNPIER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-(3-methylphenoxy)benzene
• IUPAC Traditional name: 3,3'-dimethyl diphenylether
• Synonyms: 1-methyl-3-(3-methylphenoxy)benzene

Database IDs

• MDL Number: MFCD01570957
• PubChem SID: 162072416
• PubChem CID: 89573

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: 24.24117 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true