3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol

C12H19BrO2Si — CID 58833573

IUPAC3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(O)cc1Br
InChIInChI=1S/C12H19BrO2Si/c1-12(2,3)16(4,5)15-11-7-6-9(14)8-10(11)13/h6-8,14H,1-5H3
InChIKeyWKIDMQQDLPOZNY-UHFFFAOYSA-N
MW303.27 g/mol
LogP4.54
Rot. Bonds2

About 3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol

3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol (PubChem CID 58833573) has the molecular formula C12H19BrO2Si and a molecular weight of 303.27 g/mol. Its IUPAC name is 3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol.

Molecular Properties

Compound Name3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol
PubChem CID58833573
Molecular FormulaC12H19BrO2Si
Molecular Weight303.27 g/mol
Exact Mass302.03
IUPAC Name3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(O)cc1Br
InChIInChI=1S/C12H19BrO2Si/c1-12(2,3)16(4,5)15-11-7-6-9(14)8-10(11)13/h6-8,14H,1-5H3
InChIKeyWKIDMQQDLPOZNY-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.54
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

1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
CID 167714781
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
CID 102589109
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
CID 167739749
tert-butyl-(2,4-difluorophenoxy)-dimethylsilane
CID 14811687
[4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 174567149
4-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 167732213
[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid
CID 167729414

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol?
The IUPAC name of 3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol (CID 58833573) is 3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol.
What is the SMILES notation for 3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol?
The canonical SMILES for 3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol is CC(C)(C)[Si](C)(C)Oc1ccc(O)cc1Br.
What is the InChIKey of 3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol?
The InChIKey is WKIDMQQDLPOZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrO2Si/c1-12(2,3)16(4,5)15-11-7-6-9(14)8-10(11)13/h6-8,14H,1-5H3.
What are the key properties of 3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol?
3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol has a molecular weight of 303.27 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol is sourced from PubChem (CID 58833573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).