1-methoxy-4-[(4-methoxyphenyl)methyl]benzene

• ChemBase ID: 108862
• Molecular Formular: C15H16O2
• Molecular Mass: 228.28634
• Monoisotopic Mass: 228.11502975
• SMILES: COc1ccc(Cc2ccc(OC)cc2)cc1
• Canonical SMILES: COc1ccc(cc1)Cc1ccc(cc1)OC
• InChI: InChI=1S/C15H16O2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10H,11H2,1-2H3
• InChIKey: WECJUPODCKXNQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-4-[(4-methoxyphenyl)methyl]benzene
• IUPAC Traditional name: 1-methoxy-4-[(4-methoxyphenyl)methyl]benzene
• Synonyms: 4,4'-DIMETHOXYDIPHENYLMETHANE

Database IDs

• CAS Number: 726-18-1
• PubChem SID: 162094428
• PubChem CID: 219137

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7496972
• LogD (pH = 7.4): 3.7496972
• Log P: 3.7496972
• Molar Refractivity: 68.7216 cm^3
• Polarizability: 26.739532 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209028

MP Biomedicals Rare Chemical collection