1-(benzyloxy)-4-fluorobenzene

• ChemBase ID: 97153
• Molecular Formular: C13H11FO
• Molecular Mass: 202.2242432
• Monoisotopic Mass: 202.07939319
• SMILES: O(c1ccc(cc1)F)Cc1ccccc1
• Canonical SMILES: Fc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C13H11FO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
• InChIKey: GOJNJAKUQZLPPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-4-fluorobenzene
• IUPAC Traditional name: 1-(benzyloxy)-4-fluorobenzene
• Synonyms: 1-Benzyloxy-4-fluorobenzene 98%; 1-(Benzyloxy)-4-fluorobenzene

Database IDs

• CAS Number: 370-78-5
• MDL Number: MFCD03788273
• PubChem SID: 162083766
• PubChem CID: 2735992

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6827495
• LogD (pH = 7.4): 3.6827495
• Log P: 3.6827495
• Molar Refractivity: 57.3502 cm^3
• Polarizability: 22.08293 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%