2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate

C13H20BrNO3Si — CID 171525659

IUPAC2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)NCc1ccc(Br)cc1O
InChIInChI=1S/C13H20BrNO3Si/c1-19(2,3)7-6-18-13(17)15-9-10-4-5-11(14)8-12(10)16/h4-5,8,16H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyIBHTYSORSLDHIE-UHFFFAOYSA-N
MW346.30 g/mol
LogP3.72
Rot. Bonds5

About 2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate

2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate (PubChem CID 171525659) has the molecular formula C13H20BrNO3Si and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate
PubChem CID171525659
Molecular FormulaC13H20BrNO3Si
Molecular Weight346.30 g/mol
Exact Mass345.04
IUPAC Name2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate
SMILESC[Si](C)(C)CCOC(=O)NCc1ccc(Br)cc1O
InChIInChI=1S/C13H20BrNO3Si/c1-19(2,3)7-6-18-13(17)15-9-10-4-5-11(14)8-12(10)16/h4-5,8,16H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyIBHTYSORSLDHIE-UHFFFAOYSA-N
XLogP3.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
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2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate
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2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
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2-trimethylsilylethyl N-(methoxymethyl)carbamate
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N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
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CID 71967369

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate (CID 171525659) is 2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate is C[Si](C)(C)CCOC(=O)NCc1ccc(Br)cc1O.
What is the InChIKey of 2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate?
The InChIKey is IBHTYSORSLDHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3Si/c1-19(2,3)7-6-18-13(17)15-9-10-4-5-11(14)8-12(10)16/h4-5,8,16H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate?
2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate has a molecular weight of 346.30 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate is sourced from PubChem (CID 171525659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).