2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol

C16H25F3O3Si — CID 123547238

IUPAC2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(O[Si](C)(C)C(C)(C)C)ccc1CO)C(F)(F)F
InChIInChI=1S/C16H25F3O3Si/c1-14(2,3)23(5,6)22-12-8-7-11(10-20)13(9-12)15(4,21)16(17,18)19/h7-9,20-21H,10H2,1-6H3
InChIKeyPXMAYGMIWVOXLT-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.33
Rot. Bonds4

About 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol

2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 123547238) has the molecular formula C16H25F3O3Si and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID123547238
Molecular FormulaC16H25F3O3Si
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(O[Si](C)(C)C(C)(C)C)ccc1CO)C(F)(F)F
InChIInChI=1S/C16H25F3O3Si/c1-14(2,3)23(5,6)22-12-8-7-11(10-20)13(9-12)15(4,21)16(17,18)19/h7-9,20-21H,10H2,1-6H3
InChIKeyPXMAYGMIWVOXLT-UHFFFAOYSA-N
XLogP4.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol (CID 123547238) is 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1cc(O[Si](C)(C)C(C)(C)C)ccc1CO)C(F)(F)F.
What is the InChIKey of 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is PXMAYGMIWVOXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O3Si/c1-14(2,3)23(5,6)22-12-8-7-11(10-20)13(9-12)15(4,21)16(17,18)19/h7-9,20-21H,10H2,1-6H3.
What are the key properties of 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol?
2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 350.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 123547238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).