2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol

C15H23F3O2Si — CID 66924440

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23F3O2Si/c1-14(2,3)21(4,5)20-10-13(19)11-6-8-12(9-7-11)15(16,17)18/h6-9,13,19H,10H2,1-5H3
InChIKeyRYPRRYJWAQQLAF-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.76
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol

2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 66924440) has the molecular formula C15H23F3O2Si and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID66924440
Molecular FormulaC15H23F3O2Si
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23F3O2Si/c1-14(2,3)21(4,5)20-10-13(19)11-6-8-12(9-7-11)15(16,17)18/h6-9,13,19H,10H2,1-5H3
InChIKeyRYPRRYJWAQQLAF-UHFFFAOYSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol (CID 66924440) is 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol is CC(C)(C)[Si](C)(C)OCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is RYPRRYJWAQQLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O2Si/c1-14(2,3)21(4,5)20-10-13(19)11-6-8-12(9-7-11)15(16,17)18/h6-9,13,19H,10H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol?
2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 320.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 66924440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).