1-[4-(benzyloxy)phenyl]-2-(trifluoromethyl)benzene

• ChemBase ID: 291181
• Molecular Formular: C20H15F3O
• Molecular Mass: 328.3277096
• Monoisotopic Mass: 328.10749976
• SMILES: FC(c1ccccc1c1ccc(OCc2ccccc2)cc1)(F)F
• Canonical SMILES: FC(c1ccccc1c1ccc(cc1)OCc1ccccc1)(F)F
• InChI: InChI=1S/C20H15F3O/c21-20(22,23)19-9-5-4-8-18(19)16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13H,14H2
• InChIKey: CCAJMBTXTTUNLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(benzyloxy)phenyl]-2-(trifluoromethyl)benzene
• IUPAC Traditional name: 1-[4-(benzyloxy)phenyl]-2-(trifluoromethyl)benzene
• Synonyms: 4'-(Benzyloxy)-2-(trifluoromethyl)-1,1'-biphenyl

Database IDs

• CAS Number: 1314988-09-4
• MDL Number: MFCD19684220
• PubChem SID: 180676712
• PubChem CID: 54759082

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.0651217
• LogD (pH = 7.4): 6.0651217
• Log P: 6.0651217
• Molar Refractivity: 88.2437 cm^3
• Polarizability: 34.26385 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%