(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane

C13H21BrO2Si — CID 10980049

IUPAC(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
SMILESCOc1ccc(Br)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H21BrO2Si/c1-13(2,3)17(5,6)16-12-9-10(14)7-8-11(12)15-4/h7-9H,1-6H3
InChIKeyMQARBOIOUKKZCE-UHFFFAOYSA-N
MW317.30 g/mol
LogP4.84
Rot. Bonds3

About (5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane

(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane (PubChem CID 10980049) has the molecular formula C13H21BrO2Si and a molecular weight of 317.30 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
PubChem CID10980049
Molecular FormulaC13H21BrO2Si
Molecular Weight317.30 g/mol
Exact Mass316.05
IUPAC Name(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
SMILESCOc1ccc(Br)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H21BrO2Si/c1-13(2,3)17(5,6)16-12-9-10(14)7-8-11(12)15-4/h7-9H,1-6H3
InChIKeyMQARBOIOUKKZCE-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
CID 11089314
N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline
CID 91741360
methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
(1R,2R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10766574
(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
CID 11380504
tert-butyl-dimethyl-(2,4,6-trimethoxyphenoxy)silane
CID 102281484
[2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane
CID 140869039

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane (CID 10980049) is (5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane is COc1ccc(Br)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane?
The InChIKey is MQARBOIOUKKZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrO2Si/c1-13(2,3)17(5,6)16-12-9-10(14)7-8-11(12)15-4/h7-9H,1-6H3.
What are the key properties of (5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane?
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane has a molecular weight of 317.30 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 10980049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).