1-methyl-4-phenoxybenzene

• ChemBase ID: 294052
• Molecular Formular: C13H12O
• Molecular Mass: 184.23378
• Monoisotopic Mass: 184.088815
• SMILES: Cc1ccc(Oc2ccccc2)cc1
• Canonical SMILES: Cc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C13H12O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3
• InChIKey: SSTNIXFHCIOCJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-phenoxybenzene
• IUPAC Traditional name: 1-methyl-4-phenoxybenzene
• Synonyms: 1-Methyl-4-phenoxybenzene

Database IDs

• CAS Number: 1706-12-3
• MDL Number: MFCD00043948
• PubChem SID: 180679583
• PubChem CID: 74351

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 3.9869545
• LogD (pH = 7.4): 3.9869545
• Log P: 3.9869545
• Molar Refractivity: 57.34 cm^3
• Polarizability: 22.474771 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0

PROPERTIES

Product Information

• Purity: 95+%; 97%