2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol

C17H29BrO2Si — CID 169435259

IUPAC2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol
SMILESCC(C)[Si](Oc1ccc(C(O)CBr)cc1)(C(C)C)C(C)C
InChIInChI=1S/C17H29BrO2Si/c1-12(2)21(13(3)4,14(5)6)20-16-9-7-15(8-10-16)17(19)11-18/h7-10,12-14,17,19H,11H2,1-6H3
InChIKeyXVHYYIKXXKPSAR-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.67
Rot. Bonds7

About 2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol

2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol (PubChem CID 169435259) has the molecular formula C17H29BrO2Si and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol.

Molecular Properties

Compound Name2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol
PubChem CID169435259
Molecular FormulaC17H29BrO2Si
Molecular Weight373.41 g/mol
Exact Mass372.11
IUPAC Name2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol
SMILESCC(C)[Si](Oc1ccc(C(O)CBr)cc1)(C(C)C)C(C)C
InChIInChI=1S/C17H29BrO2Si/c1-12(2)21(13(3)4,14(5)6)20-16-9-7-15(8-10-16)17(19)11-18/h7-10,12-14,17,19H,11H2,1-6H3
InChIKeyXVHYYIKXXKPSAR-UHFFFAOYSA-N
XLogP5.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)-(4-propan-2-ylphenoxy)silane
CID 170637474
2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol
CID 46939521
(R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol
CID 11761216
2-bromo-1-(4-octoxyphenyl)ethanol
CID 118331988
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane
CID 134843819
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
(1S)-2-bromo-1-(4-isocyanophenyl)ethanol
CID 59261886
2-bromo-1-(4-phenylphenyl)ethanol
CID 13479157
(1S)-2-bromo-1-(4-phenylphenyl)ethanol
CID 13479158
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol?
The IUPAC name of 2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol (CID 169435259) is 2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol.
What is the SMILES notation for 2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol?
The canonical SMILES for 2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol is CC(C)[Si](Oc1ccc(C(O)CBr)cc1)(C(C)C)C(C)C.
What is the InChIKey of 2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol?
The InChIKey is XVHYYIKXXKPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrO2Si/c1-12(2)21(13(3)4,14(5)6)20-16-9-7-15(8-10-16)17(19)11-18/h7-10,12-14,17,19H,11H2,1-6H3.
What are the key properties of 2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol?
2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol has a molecular weight of 373.41 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanol is sourced from PubChem (CID 169435259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).