2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol

C15H25BrO2Si — CID 10641233

IUPAC2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Br)cc1CCO
InChIInChI=1S/C15H25BrO2Si/c1-15(2,3)19(4,5)18-11-13-6-7-14(16)10-12(13)8-9-17/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyGRDDBLQLEVUFHQ-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.51
Rot. Bonds5

About 2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol

2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol (PubChem CID 10641233) has the molecular formula C15H25BrO2Si and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
PubChem CID10641233
Molecular FormulaC15H25BrO2Si
Molecular Weight345.35 g/mol
Exact Mass344.08
IUPAC Name2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Br)cc1CCO
InChIInChI=1S/C15H25BrO2Si/c1-15(2,3)19(4,5)18-11-13-6-7-14(16)10-12(13)8-9-17/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyGRDDBLQLEVUFHQ-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol?
The IUPAC name of 2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol (CID 10641233) is 2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol.
What is the SMILES notation for 2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol?
The canonical SMILES for 2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol is CC(C)(C)[Si](C)(C)OCc1ccc(Br)cc1CCO.
What is the InChIKey of 2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol?
The InChIKey is GRDDBLQLEVUFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO2Si/c1-15(2,3)19(4,5)18-11-13-6-7-14(16)10-12(13)8-9-17/h6-7,10,17H,8-9,11H2,1-5H3.
What are the key properties of 2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol?
2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol has a molecular weight of 345.35 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol is sourced from PubChem (CID 10641233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).