1-methoxy-2-(2-methoxyphenyl)benzene

• ChemBase ID: 153731
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: COc1ccccc1c1ccccc1OC
• Canonical SMILES: COc1ccccc1c1ccccc1OC
• InChI: InChI=1S/C14H14O2/c1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2/h3-10H,1-2H3
• InChIKey: VGMKUVCDINAAFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-2-(2-methoxyphenyl)benzene
• IUPAC Traditional name: 1,1'-biphenyl, 2,2'-dimethoxy-
• Synonyms: 2,2'-Dimethoxy-1,1'-biphenyl; 2,2′-Dimethoxybiphenyl; 2,2'-Dimethoxybiphenyl; 2,2'-二甲氧基联苯

Database IDs

• CAS Number: 4877-93-4
• MDL Number: MFCD00067073
• Beilstein Number: 2051625
• PubChem SID: 162247870; 24889625
• PubChem CID: 611816

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: 26.388542 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152-156°C
• Fluorescence: λex 280 nm; λem 339 nm in ethanol (1 mg/mL)

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (HPLC); 97%
• Suitability: suitable for fluorescence
• Description: fluorescent marker
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C14H14O2