(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane

C12H19BrOSi — CID 167738069

IUPAC(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
SMILESCC(C)c1cc(Br)ccc1O[Si](C)(C)C
InChIInChI=1S/C12H19BrOSi/c1-9(2)11-8-10(13)6-7-12(11)14-15(3,4)5/h6-9H,1-5H3
InChIKeyAWNJKTGSHVMVDX-UHFFFAOYSA-N
MW287.27 g/mol
LogP4.79
Rot. Bonds3

About (4-bromo-2-propan-2-ylphenoxy)-trimethylsilane

(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane (PubChem CID 167738069) has the molecular formula C12H19BrOSi and a molecular weight of 287.27 g/mol. Its IUPAC name is (4-bromo-2-propan-2-ylphenoxy)-trimethylsilane.

Molecular Properties

Compound Name(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
PubChem CID167738069
Molecular FormulaC12H19BrOSi
Molecular Weight287.27 g/mol
Exact Mass286.04
IUPAC Name(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
SMILESCC(C)c1cc(Br)ccc1O[Si](C)(C)C
InChIInChI=1S/C12H19BrOSi/c1-9(2)11-8-10(13)6-7-12(11)14-15(3,4)5/h6-9H,1-5H3
InChIKeyAWNJKTGSHVMVDX-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
(4-bromo-2-propan-2-ylphenoxy)boronic acid
CID 172686139
3-(4-bromo-2-propan-2-ylphenoxy)-6-(chloromethyl)pyridazine
CID 113303012
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 115401922
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
4-bromo-1-[(E)-3-chloroprop-2-enoxy]-2-propan-2-ylbenzene
CID 115402053
2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol
CID 167719618
6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 115401558

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-propan-2-ylphenoxy)-trimethylsilane?
The IUPAC name of (4-bromo-2-propan-2-ylphenoxy)-trimethylsilane (CID 167738069) is (4-bromo-2-propan-2-ylphenoxy)-trimethylsilane.
What is the SMILES notation for (4-bromo-2-propan-2-ylphenoxy)-trimethylsilane?
The canonical SMILES for (4-bromo-2-propan-2-ylphenoxy)-trimethylsilane is CC(C)c1cc(Br)ccc1O[Si](C)(C)C.
What is the InChIKey of (4-bromo-2-propan-2-ylphenoxy)-trimethylsilane?
The InChIKey is AWNJKTGSHVMVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrOSi/c1-9(2)11-8-10(13)6-7-12(11)14-15(3,4)5/h6-9H,1-5H3.
What are the key properties of (4-bromo-2-propan-2-ylphenoxy)-trimethylsilane?
(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane has a molecular weight of 287.27 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-propan-2-ylphenoxy)-trimethylsilane is sourced from PubChem (CID 167738069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).