1-methyl-4-(3-methylphenoxy)benzene

• ChemBase ID: 295847
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: Cc1ccc(cc1)Oc1cccc(c1)C
• Canonical SMILES: Cc1ccc(cc1)Oc1cccc(c1)C
• InChI: InChI=1S/C14H14O/c1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14/h3-10H,1-2H3
• InChIKey: DBKWISXILXVKEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(3-methylphenoxy)benzene
• IUPAC Traditional name: 1-methyl-4-(3-methylphenoxy)benzene
• Synonyms: 3,4'-Dimethyldiphenyl ether; 3,4'-二甲基二苯醚

Database IDs

• CAS Number: 51801-69-5
• MDL Number: MFCD00151815
• Beilstein Number: 1951603
• PubChem SID: 180681378
• PubChem CID: 103971

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5003757
• LogD (pH = 7.4): 4.5003757
• Log P: 4.5003757
• Molar Refractivity: 62.3812 cm^3
• Polarizability: 24.240534 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 164°C/10mm
• Density: 1.050
• Refractive Index: 1.5665

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%