{2-[(4-fluorophenyl)dimethylsilyl]phenyl}methanol

• ChemBase ID: 297816
• Molecular Formular: C15H17FOSi
• Molecular Mass: 260.3787832
• Monoisotopic Mass: 260.10326992
• SMILES: C[Si](C)(c1ccc(cc1)F)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1[Si](c1ccc(cc1)F)(C)C
• InChI: InChI=1S/C15H17FOSi/c1-18(2,14-9-7-13(16)8-10-14)15-6-4-3-5-12(15)11-17/h3-10,17H,11H2,1-2H3
• InChIKey: RKOHTBFNQRVSEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(4-fluorophenyl)dimethylsilyl]phenyl}methanol
• IUPAC Traditional name: {2-[(4-fluorophenyl)dimethylsilyl]phenyl}methanol
• Synonyms: 2-[(4-Fluorophenyl)dimethylsilyl]benzyl alcohol; 2-[(4-氟苯基)二甲基硅烷基]苄醇

Database IDs

• CAS Number: 853955-70-1
• MDL Number: MFCD16251550
• PubChem SID: 180683347
• PubChem CID: 11989534

CALCULATED PROPERTIES

• Acid pKa: 15.01316
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.2946
• LogD (pH = 7.4): 4.2946
• Log P: 4.2946
• Molar Refractivity: 69.0791 cm^3
• Polarizability: 28.642466 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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: 95%