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

• ChemBase ID: 297817
• Molecular Formular: C15H17ClOSi
• Molecular Mass: 276.83338
• Monoisotopic Mass: 276.07371938
• SMILES: C[Si](C)(c1ccc(cc1)Cl)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1[Si](c1ccc(cc1)Cl)(C)C
• InChI: InChI=1S/C15H17ClOSi/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: YULOYAUMWFHYQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16251551
• PubChem SID: 180683348
• PubChem CID: 57416887

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.6731
• LogD (pH = 7.4): 4.6731
• Log P: 4.6731
• Molar Refractivity: 73.6675 cm^3
• Polarizability: 30.857464 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.01316

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%