4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol

C14H23BrO4Si — CID 22980672

IUPAC4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol
SMILESCOc1cc(Br)c(COCOCC[Si](C)(C)C)cc1O
InChIInChI=1S/C14H23BrO4Si/c1-17-14-8-12(15)11(7-13(14)16)9-19-10-18-5-6-20(2,3)4/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyMGVAVKPBAYUPBU-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.99
Rot. Bonds8

About 4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol

4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol (PubChem CID 22980672) has the molecular formula C14H23BrO4Si and a molecular weight of 363.32 g/mol. Its IUPAC name is 4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol
PubChem CID22980672
Molecular FormulaC14H23BrO4Si
Molecular Weight363.32 g/mol
Exact Mass362.05
IUPAC Name4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol
SMILESCOc1cc(Br)c(COCOCC[Si](C)(C)C)cc1O
InChIInChI=1S/C14H23BrO4Si/c1-17-14-8-12(15)11(7-13(14)16)9-19-10-18-5-6-20(2,3)4/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyMGVAVKPBAYUPBU-UHFFFAOYSA-N
XLogP3.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol?
The IUPAC name of 4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol (CID 22980672) is 4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol.
What is the SMILES notation for 4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol?
The canonical SMILES for 4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol is COc1cc(Br)c(COCOCC[Si](C)(C)C)cc1O.
What is the InChIKey of 4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol?
The InChIKey is MGVAVKPBAYUPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO4Si/c1-17-14-8-12(15)11(7-13(14)16)9-19-10-18-5-6-20(2,3)4/h7-8,16H,5-6,9-10H2,1-4H3.
What are the key properties of 4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol?
4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol has a molecular weight of 363.32 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-5-(2-trimethylsilylethoxymethoxymethyl)phenol is sourced from PubChem (CID 22980672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).