(2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane

C14H23BrO2Si — CID 22662093

IUPAC(2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(Br)c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H23BrO2Si/c1-14(2,3)18(5,6)17-10-11-9-12(16-4)7-8-13(11)15/h7-9H,10H2,1-6H3
InChIKeyBHKOUBOYIZXRML-UHFFFAOYSA-N
MW331.33 g/mol
LogP4.98
Rot. Bonds4

About (2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane

(2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane (PubChem CID 22662093) has the molecular formula C14H23BrO2Si and a molecular weight of 331.33 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane
PubChem CID22662093
Molecular FormulaC14H23BrO2Si
Molecular Weight331.33 g/mol
Exact Mass330.07
IUPAC Name(2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(Br)c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H23BrO2Si/c1-14(2,3)18(5,6)17-10-11-9-12(16-4)7-8-13(11)15/h7-9H,10H2,1-6H3
InChIKeyBHKOUBOYIZXRML-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane (CID 22662093) is (2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane is COc1ccc(Br)c(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is BHKOUBOYIZXRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO2Si/c1-14(2,3)18(5,6)17-10-11-9-12(16-4)7-8-13(11)15/h7-9H,10H2,1-6H3.
What are the key properties of (2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane?
(2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 331.33 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 22662093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).