2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol

C12H19BrO2Si — CID 167719618

IUPAC2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol
SMILESCC(C)(O)c1ccc(Br)cc1O[Si](C)(C)C
InChIInChI=1S/C12H19BrO2Si/c1-12(2,14)10-7-6-9(13)8-11(10)15-16(3,4)5/h6-8,14H,1-5H3
InChIKeyXJWCBEUSGQNZPQ-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.89
Rot. Bonds3

About 2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol

2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol (PubChem CID 167719618) has the molecular formula C12H19BrO2Si and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol
PubChem CID167719618
Molecular FormulaC12H19BrO2Si
Molecular Weight303.27 g/mol
Exact Mass302.03
IUPAC Name2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol
SMILESCC(C)(O)c1ccc(Br)cc1O[Si](C)(C)C
InChIInChI=1S/C12H19BrO2Si/c1-12(2,14)10-7-6-9(13)8-11(10)15-16(3,4)5/h6-8,14H,1-5H3
InChIKeyXJWCBEUSGQNZPQ-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-bromophenyl)propan-2-ol
CID 57155706
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
CID 167738069
2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol
CID 117400978
2-(2-amino-5-bromophenyl)propan-2-ol
CID 12042275
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
2-[4-bromo-2-(3-bromophenyl)phenyl]propan-2-ol
CID 144565249
[2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane
CID 57101826
methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068
4-bromo-2-hydroperoxy-1-propan-2-ylbenzene
CID 19915594
2-(4-bromo-2-methoxyphenyl)butan-2-amine
CID 130134221
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol?
The IUPAC name of 2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol (CID 167719618) is 2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol is CC(C)(O)c1ccc(Br)cc1O[Si](C)(C)C.
What is the InChIKey of 2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol?
The InChIKey is XJWCBEUSGQNZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrO2Si/c1-12(2,14)10-7-6-9(13)8-11(10)15-16(3,4)5/h6-8,14H,1-5H3.
What are the key properties of 2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol?
2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol has a molecular weight of 303.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol is sourced from PubChem (CID 167719618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).