1-(methoxymethyl)-4-[4-(methoxymethyl)phenyl]benzene

• ChemBase ID: 288455
• Molecular Formular: C16H18O2
• Molecular Mass: 242.31292
• Monoisotopic Mass: 242.13067982
• SMILES: COCc1ccc(c2ccc(COC)cc2)cc1
• Canonical SMILES: COCc1ccc(cc1)c1ccc(cc1)COC
• InChI: InChI=1S/C16H18O2/c1-17-11-13-3-7-15(8-4-13)16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3
• InChIKey: MODAACUAXYPNJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-4-[4-(methoxymethyl)phenyl]benzene
• IUPAC Traditional name: 1-(methoxymethyl)-4-[4-(methoxymethyl)phenyl]benzene
• Synonyms: 4,4'-Bis(methoxymethyl)-1,1'-biphenyl

Database IDs

• CAS Number: 3753-18-2
• MDL Number: MFCD03840532
• PubChem SID: 180673986
• PubChem CID: 1519430

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3720245
• LogD (pH = 7.4): 3.3720245
• Log P: 3.3720245
• Molar Refractivity: 74.3284 cm^3
• Polarizability: 30.096434 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%