[4-(4-fluorophenoxy)phenyl]methanol

• ChemBase ID: 297159
• Molecular Formular: C13H11FO2
• Molecular Mass: 218.2236432
• Monoisotopic Mass: 218.07430781
• SMILES: c1cc(ccc1CO)Oc1ccc(cc1)F
• Canonical SMILES: OCc1ccc(cc1)Oc1ccc(cc1)F
• InChI: InChI=1S/C13H11FO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8,15H,9H2
• InChIKey: CDHGTLMRIKSFII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-fluorophenoxy)phenyl]methanol
• IUPAC Traditional name: [4-(4-fluorophenoxy)phenyl]methanol
• Synonyms: [4-(4-Fluorophenoxy)phenyl]methanol; 4-(4-Fluorophenoxy)benzyl alcohol

Database IDs

• MDL Number: MFCD11190422
• PubChem SID: 180682690
• PubChem CID: 22293127

CALCULATED PROPERTIES

• Acid pKa: 14.996494
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.848885
• LogD (pH = 7.4): 2.848885
• Log P: 2.848885
• Molar Refractivity: 59.3311 cm^3
• Polarizability: 22.763632 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66-68°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%