[3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

C23H26BrClO2Si — CID 22048150

IUPAC[3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(-c2c(O[Si](C)(C)C(C)(C)C)c(Br)cc3cccc(Cl)c23)cc1
InChIInChI=1S/C23H26BrClO2Si/c1-23(2,3)28(5,6)27-22-18(24)14-16-8-7-9-19(25)20(16)21(22)15-10-12-17(26-4)13-11-15/h7-14H,1-6H3
InChIKeyLSNYXBYQGXHAEN-UHFFFAOYSA-N
MW477.90 g/mol
LogP8.32
Rot. Bonds4

About [3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

[3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 22048150) has the molecular formula C23H26BrClO2Si and a molecular weight of 477.90 g/mol. Its IUPAC name is [3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID22048150
Molecular FormulaC23H26BrClO2Si
Molecular Weight477.90 g/mol
Exact Mass476.06
IUPAC Name[3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(-c2c(O[Si](C)(C)C(C)(C)C)c(Br)cc3cccc(Cl)c23)cc1
InChIInChI=1S/C23H26BrClO2Si/c1-23(2,3)28(5,6)27-22-18(24)14-16-8-7-9-19(25)20(16)21(22)15-10-12-17(26-4)13-11-15/h7-14H,1-6H3
InChIKeyLSNYXBYQGXHAEN-UHFFFAOYSA-N
XLogP8.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.90
LogP ≤ 58.32
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 [3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 22048150) is [3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is COc1ccc(-c2c(O[Si](C)(C)C(C)(C)C)c(Br)cc3cccc(Cl)c23)cc1.
What is the InChIKey of [3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LSNYXBYQGXHAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrClO2Si/c1-23(2,3)28(5,6)27-22-18(24)14-16-8-7-9-19(25)20(16)21(22)15-10-12-17(26-4)13-11-15/h7-14H,1-6H3.
What are the key properties of [3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
[3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 477.90 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 22048150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).