1-methoxy-4-(4-methoxyphenyl)benzene

• ChemBase ID: 148177
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: COc1ccc(cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1ccc(cc1)OC
• InChI: InChI=1S/C14H14O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12/h3-10H,1-2H3
• InChIKey: UIMPAOAAAYDUKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-4-(4-methoxyphenyl)benzene
• IUPAC Traditional name: 4,4'-dimethoxybiphenyl
• Synonyms: 4,4′-Bianisole; 4,4′-Dimethoxybiphenyl; 4,4′-二甲氧基苯; 4,4-二甲氧基联苯

Database IDs

• CAS Number: 2132-80-1
• MDL Number: MFCD00008402
• PubChem SID: 162242354; 24848911
• PubChem CID: 16484

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3051286
• LogD (pH = 7.4): 3.3051286
• Log P: 3.3051286
• Molar Refractivity: 64.1206 cm^3
• Polarizability: 26.377058 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179-180 °C (subl.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Linear Formula: CH3OC6H4C6H4OCH3

DETAILS

Sigma Aldrich - 148539

Packaging
1 g in glass bottle