(2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane

C13H20BrClOSi — CID 175076642

IUPAC(2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane
SMILESCO[Si](C)(Cc1ccc(Cl)cc1Br)C(C)(C)C
InChIInChI=1S/C13H20BrClOSi/c1-13(2,3)17(5,16-4)9-10-6-7-11(15)8-12(10)14/h6-8H,9H2,1-5H3
InChIKeyXUEWRBGQSYTIFT-UHFFFAOYSA-N
MW335.75 g/mol
LogP5.21
Rot. Bonds3

About (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane

(2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane (PubChem CID 175076642) has the molecular formula C13H20BrClOSi and a molecular weight of 335.75 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane
PubChem CID175076642
Molecular FormulaC13H20BrClOSi
Molecular Weight335.75 g/mol
Exact Mass334.02
IUPAC Name(2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane
SMILESCO[Si](C)(Cc1ccc(Cl)cc1Br)C(C)(C)C
InChIInChI=1S/C13H20BrClOSi/c1-13(2,3)17(5,16-4)9-10-6-7-11(15)8-12(10)14/h6-8H,9H2,1-5H3
InChIKeyXUEWRBGQSYTIFT-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.75
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene
CID 117221392
N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460580
tert-butyl-[(2,4-dichlorophenyl)methoxy]-dimethylsilane
CID 91737025
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane
CID 155571683
N'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659
1-N-[(2-bromo-4-chlorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 81494425
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
(2-bromo-4-chlorophenyl)methanesulfonamide
CID 71683198
tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine
CID 115347459

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane?
The IUPAC name of (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane (CID 175076642) is (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane.
What is the SMILES notation for (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane?
The canonical SMILES for (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane is CO[Si](C)(Cc1ccc(Cl)cc1Br)C(C)(C)C.
What is the InChIKey of (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane?
The InChIKey is XUEWRBGQSYTIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClOSi/c1-13(2,3)17(5,16-4)9-10-6-7-11(15)8-12(10)14/h6-8H,9H2,1-5H3.
What are the key properties of (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane?
(2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane has a molecular weight of 335.75 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane is sourced from PubChem (CID 175076642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).