[(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

C23H29BrO3Si — CID 134877698

IUPAC[(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(O[C@@H]2C=Cc3ccccc3[C@H]2O[Si](C)(C)C(C)(C)C)c(Br)c1
InChIInChI=1S/C23H29BrO3Si/c1-23(2,3)28(5,6)27-22-18-10-8-7-9-16(18)11-13-21(22)26-20-14-12-17(25-4)15-19(20)24/h7-15,21-22H,1-6H3/t21-,22-/m1/s1
InChIKeyRBQLTNILOGVTJT-FGZHOGPDSA-N
MW461.47 g/mol
LogP6.99
Rot. Bonds5

About [(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

[(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134877698) has the molecular formula C23H29BrO3Si and a molecular weight of 461.47 g/mol. Its IUPAC name is [(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134877698
Molecular FormulaC23H29BrO3Si
Molecular Weight461.47 g/mol
Exact Mass460.11
IUPAC Name[(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(O[C@@H]2C=Cc3ccccc3[C@H]2O[Si](C)(C)C(C)(C)C)c(Br)c1
InChIInChI=1S/C23H29BrO3Si/c1-23(2,3)28(5,6)27-22-18-10-8-7-9-16(18)11-13-21(22)26-20-14-12-17(25-4)15-19(20)24/h7-15,21-22H,1-6H3/t21-,22-/m1/s1
InChIKeyRBQLTNILOGVTJT-FGZHOGPDSA-N
XLogP6.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.47
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (CID 134877698) is [(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is COc1ccc(O[C@@H]2C=Cc3ccccc3[C@H]2O[Si](C)(C)C(C)(C)C)c(Br)c1.
What is the InChIKey of [(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is RBQLTNILOGVTJT-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H29BrO3Si/c1-23(2,3)28(5,6)27-22-18-10-8-7-9-16(18)11-13-21(22)26-20-14-12-17(25-4)15-19(20)24/h7-15,21-22H,1-6H3/t21-,22-/m1/s1.
What are the key properties of [(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
[(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 461.47 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134877698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).