(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane

C20H27BrO3Si — CID 59089862

IUPAC(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
SMILESCOc1cc(OCc2ccccc2)c(O[Si](C)(C)C(C)(C)C)cc1Br
InChIInChI=1S/C20H27BrO3Si/c1-20(2,3)25(5,6)24-19-12-16(21)17(22-4)13-18(19)23-14-15-10-8-7-9-11-15/h7-13H,14H2,1-6H3
InChIKeyBBQBSMXPGIVXPS-UHFFFAOYSA-N
MW423.42 g/mol
LogP6.42
Rot. Bonds6

About (5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane

(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane (PubChem CID 59089862) has the molecular formula C20H27BrO3Si and a molecular weight of 423.42 g/mol. Its IUPAC name is (5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
PubChem CID59089862
Molecular FormulaC20H27BrO3Si
Molecular Weight423.42 g/mol
Exact Mass422.09
IUPAC Name(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
SMILESCOc1cc(OCc2ccccc2)c(O[Si](C)(C)C(C)(C)C)cc1Br
InChIInChI=1S/C20H27BrO3Si/c1-20(2,3)25(5,6)24-19-12-16(21)17(22-4)13-18(19)23-14-15-10-8-7-9-11-15/h7-13H,14H2,1-6H3
InChIKeyBBQBSMXPGIVXPS-UHFFFAOYSA-N
XLogP6.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.42
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine
CID 166080761
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate
CID 11304558
1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
CID 126540380
[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
CID 79416158
1-(5-bromo-4-methoxy-2-phenylmethoxyphenyl)adamantane
CID 67209072
tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
CID 89404905
tert-butyl-[4-[3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
CID 123893519
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane (CID 59089862) is (5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane is COc1cc(OCc2ccccc2)c(O[Si](C)(C)C(C)(C)C)cc1Br.
What is the InChIKey of (5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane?
The InChIKey is BBQBSMXPGIVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrO3Si/c1-20(2,3)25(5,6)24-19-12-16(21)17(22-4)13-18(19)23-14-15-10-8-7-9-11-15/h7-13H,14H2,1-6H3.
What are the key properties of (5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane?
(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane has a molecular weight of 423.42 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 59089862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).