4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane

C26H43Br2ClO6Si2 — CID 159501302

IUPAC4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
SMILESCOc1cc(Br)ccc1O.COc1cc(Br)ccc1OCOCC[Si](C)(C)C.C[Si](C)(C)CCOCCl
InChIInChI=1S/C13H21BrO3Si.C7H7BrO2.C6H15ClOSi/c1-15-13-9-11(14)5-6-12(13)17-10-16-7-8-18(2,3)4;1-10-7-4-5(8)2-3-6(7)9;1-9(2,3)5-4-8-6-7/h5-6,9H,7-8,10H2,1-4H3;2-4,9H,1H3;4-6H2,1-3H3
InChIKeyLZKLELVWHFPECW-UHFFFAOYSA-N
MW703.06 g/mol
LogP8.85
Rot. Bonds12

About 4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane

4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane (PubChem CID 159501302) has the molecular formula C26H43Br2ClO6Si2 and a molecular weight of 703.06 g/mol. Its IUPAC name is 4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane.

Molecular Properties

Compound Name4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
PubChem CID159501302
Molecular FormulaC26H43Br2ClO6Si2
Molecular Weight703.06 g/mol
Exact Mass700.07
IUPAC Name4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
SMILESCOc1cc(Br)ccc1O.COc1cc(Br)ccc1OCOCC[Si](C)(C)C.C[Si](C)(C)CCOCCl
InChIInChI=1S/C13H21BrO3Si.C7H7BrO2.C6H15ClOSi/c1-15-13-9-11(14)5-6-12(13)17-10-16-7-8-18(2,3)4;1-10-7-4-5(8)2-3-6(7)9;1-9(2,3)5-4-8-6-7/h5-6,9H,7-8,10H2,1-4H3;2-4,9H,1H3;4-6H2,1-3H3
InChIKeyLZKLELVWHFPECW-UHFFFAOYSA-N
XLogP8.85
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.06
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane?
The IUPAC name of 4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane (CID 159501302) is 4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane.
What is the SMILES notation for 4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane?
The canonical SMILES for 4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane is COc1cc(Br)ccc1O.COc1cc(Br)ccc1OCOCC[Si](C)(C)C.C[Si](C)(C)CCOCCl.
What is the InChIKey of 4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane?
The InChIKey is LZKLELVWHFPECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrO3Si.C7H7BrO2.C6H15ClOSi/c1-15-13-9-11(14)5-6-12(13)17-10-16-7-8-18(2,3)4;1-10-7-4-5(8)2-3-6(7)9;1-9(2,3)5-4-8-6-7/h5-6,9H,7-8,10H2,1-4H3;2-4,9H,1H3;4-6H2,1-3H3.
What are the key properties of 4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane?
4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane has a molecular weight of 703.06 g/mol, XLogP of 8.85, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane is sourced from PubChem (CID 159501302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).