1-methoxy-3-phenoxybenzene

• ChemBase ID: 296956
• Molecular Formular: C13H12O2
• Molecular Mass: 200.23318
• Monoisotopic Mass: 200.08372962
• SMILES: COc1cccc(c1)Oc1ccccc1
• Canonical SMILES: COc1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C13H12O2/c1-14-12-8-5-9-13(10-12)15-11-6-3-2-4-7-11/h2-10H,1H3
• InChIKey: CBVXNDCIOLXDFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-3-phenoxybenzene
• IUPAC Traditional name: 1-methoxy-3-phenoxybenzene
• Synonyms: 3-Methoxydiphenyl ether; 1-Methoxy-3-phenoxybenzene; 3-Phenoxyanisole; 3-苯氧基苯甲醚

Database IDs

• CAS Number: 1655-68-1
• EC Number: 216-748-8
• MDL Number: MFCD00455605
• PubChem SID: 180682487
• PubChem CID: 74252

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3158617
• LogD (pH = 7.4): 3.3158617
• Log P: 3.3158617
• Molar Refractivity: 58.762 cm^3
• Polarizability: 23.188808 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5790

Safety Information

• RTECS: DA5350200
• TSCA Listed: 是

Product Information

• Purity: 97%