1-benzyl-4-methoxybenzene

• ChemBase ID: 7876
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: c1cccc(c1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Cc1ccccc1
• InChI: InChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
• InChIKey: GQLYCRTUQGSDSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-methoxybenzene
• IUPAC Traditional name: 1-benzyl-4-methoxybenzene
• Synonyms: 4-Methoxydiphenylmethane

Database IDs

• CAS Number: 834-14-0
• MDL Number: MFCD00094072
• PubChem SID: 160971183
• PubChem CID: 13264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9073687
• LogD (pH = 7.4): 3.9073687
• Log P: 3.9073687
• Molar Refractivity: 62.2584 cm^3
• Polarizability: 24.260422 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.05

Safety Information

• TSCA Listed: false

Product Information

• Purity: 98%