{4-[(4-fluorophenyl)methoxy]phenyl}methanol

• ChemBase ID: 100887
• Molecular Formular: C14H13FO2
• Molecular Mass: 232.2502232
• Monoisotopic Mass: 232.08995788
• SMILES: O(c1ccc(cc1)CO)Cc1ccc(cc1)F
• Canonical SMILES: OCc1ccc(cc1)OCc1ccc(cc1)F
• InChI: InChI=1S/C14H13FO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8,16H,9-10H2
• InChIKey: FNWSEJASZBRBDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(4-fluorophenyl)methoxy]phenyl}methanol
• IUPAC Traditional name: {4-[(4-fluorophenyl)methoxy]phenyl}methanol
• Synonyms: 4-(4-Fluorobenzyloxy)benzyl alcohol 97%; 4-(4-Fluorobenzyloxy)benzyl alcohol; 4-(4-氟苯甲氧基)苄醇

Database IDs

• CAS Number: 117113-98-1
• MDL Number: MFCD00173648
• PubChem SID: 162087824
• PubChem CID: 2737278

CALCULATED PROPERTIES

• Acid pKa: 15.0197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9153998
• LogD (pH = 7.4): 2.9153998
• Log P: 2.9153998
• Molar Refractivity: 64.1661 cm^3
• Polarizability: 24.541824 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 106-108°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 98%