1-methoxy-4-phenylbenzene

• ChemBase ID: 52478
• Molecular Formular: C13H12O
• Molecular Mass: 184.23378
• Monoisotopic Mass: 184.088815
• SMILES: c1(ccc(cc1)OC)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
• InChIKey: RHDYQUZYHZWTCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-4-phenylbenzene
• IUPAC Traditional name: 4-methoxybiphenyl
• Synonyms: 4-Methoxybiphenyl; 4-methoxy-1,1'-biphenyl; 4-Phenylanisole; 4-Methoxybiphenyl; 4-甲氧基联苯

Database IDs

• CAS Number: 613-37-6
• EC Number: 210-339-8
• MDL Number: MFCD00014897
• Beilstein Number: 2043157
• PubChem SID: 162057241; 24863335
• PubChem CID: 11943

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4628
• LogD (pH = 7.4): 3.4628
• Log P: 3.4628
• Molar Refractivity: 57.6574 cm^3
• Polarizability: 23.935638 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-90 °C(lit.); 86-90°C; 89-90°C
• Boiling Point: 157°C/10mm

Safety Information

• Storage Warning: IRRITANT
• RTECS: BZ8850000
• German water hazard class: 3
• TSCA Listed: false; 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98%; 98+%
• Linear Formula: C6H5C6H4OCH3

DETAILS

Sigma Aldrich - 374776

Packaging
5, 25 g in glass bottle