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

• ChemBase ID: 297780
• Molecular Formular: C16H20O2Si
• Molecular Mass: 272.4143
• Monoisotopic Mass: 272.12325641
• SMILES: COc1ccc(cc1)[Si](C)(C)c1ccccc1CO
• Canonical SMILES: COc1ccc(cc1)[Si](c1ccccc1CO)(C)C
• InChI: InChI=1S/C16H20O2Si/c1-18-14-8-10-15(11-9-14)19(2,3)16-7-5-4-6-13(16)12-17/h4-11,17H,12H2,1-3H3
• InChIKey: VDSAHZMKMDUYLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(4-methoxyphenyl)dimethylsilyl]phenyl}methanol
• IUPAC Traditional name: {2-[(4-methoxyphenyl)dimethylsilyl]phenyl}methanol
• Synonyms: 2-[(4-Methoxyphenyl)dimethylsilyl]benzyl alcohol; 2-[(4-甲氧基苯基)二甲基硅烷基]苄醇

Database IDs

• CAS Number: 944064-51-1
• MDL Number: MFCD11870726
• PubChem SID: 180683311
• PubChem CID: 46702980

CALCULATED PROPERTIES

• Acid pKa: 15.01316
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9024
• LogD (pH = 7.4): 3.9024
• Log P: 3.9024
• Molar Refractivity: 75.3259 cm^3
• Polarizability: 31.525215 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• 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