4-{[2-(hydroxymethyl)phenyl]dimethylsilyl}benzaldehyde

• ChemBase ID: 295132
• Molecular Formular: C16H18O2Si
• Molecular Mass: 270.39842
• Monoisotopic Mass: 270.10760635
• SMILES: C[Si](C)(c1ccc(cc1)C=O)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1[Si](c1ccc(cc1)C=O)(C)C
• InChI: InChI=1S/C16H18O2Si/c1-19(2,15-9-7-13(11-17)8-10-15)16-6-4-3-5-14(16)12-18/h3-11,18H,12H2,1-2H3
• InChIKey: ABEVQECRLKZYHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(hydroxymethyl)phenyl]dimethylsilyl}benzaldehyde
• IUPAC Traditional name: 4-{[2-(hydroxymethyl)phenyl]dimethylsilyl}benzaldehyde
• Synonyms: 2-[(4-Formylphenyl)dimethylsilyl]benzyl alcohol; 2-[(4-甲酰基苯基)二甲基硅烷]苄醇

Database IDs

• MDL Number: MFCD16251557
• PubChem SID: 180680663
• PubChem CID: 73995003

CALCULATED PROPERTIES

• Acid pKa: 15.01316
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8306
• LogD (pH = 7.4): 3.8306
• Log P: 3.8306
• Molar Refractivity: 75.4467 cm^3
• Polarizability: 30.896852 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• 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%