1-methoxy-3-(3-methoxyphenyl)benzene

• ChemBase ID: 108347
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: COc1cccc(c1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1cccc(c1)OC
• InChI: InChI=1S/C14H14O2/c1-15-13-7-3-5-11(9-13)12-6-4-8-14(10-12)16-2/h3-10H,1-2H3
• InChIKey: UCHNVSDXSPIKRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-3-(3-methoxyphenyl)benzene
• IUPAC Traditional name: 1,1'-biphenyl, 3,3'-dimethoxy-
• Synonyms: 3,3'-DIMETHOXY BIPHENYL; 3,3′-Bianisole; 3,3′-Dimethoxybiphenyl; 3,3′-二甲氧基苯; 3,3-二甲氧基联苯

Database IDs

• CAS Number: 6161-50-8
• EC Number: 228-187-6
• MDL Number: MFCD00008391
• PubChem SID: 24893259; 162093959
• PubChem CID: 80265

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: 26.38294 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44-45 °C(lit.)
• Boiling Point: 328 °C(lit.)
• Flash Point: >113 °C; >235.4 °F

Safety Information

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

Product Information

• Purity: 97%
• Linear Formula: CH3OC6H4C6H4OCH3

DETAILS

MP Biomedicals - 05207037

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D133205

Packaging
10 g in glass bottle