[2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol

C14H23BrO4Si — CID 22486246

IUPAC[2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol
SMILESCOc1cc(Br)c(CO)cc1OCOCC[Si](C)(C)C
InChIInChI=1S/C14H23BrO4Si/c1-17-13-8-12(15)11(9-16)7-14(13)19-10-18-5-6-20(2,3)4/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyMPOLKWPCEBTSTK-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.64
Rot. Bonds8

About [2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol

[2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol (PubChem CID 22486246) has the molecular formula C14H23BrO4Si and a molecular weight of 363.32 g/mol. Its IUPAC name is [2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol
PubChem CID22486246
Molecular FormulaC14H23BrO4Si
Molecular Weight363.32 g/mol
Exact Mass362.05
IUPAC Name[2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol
SMILESCOc1cc(Br)c(CO)cc1OCOCC[Si](C)(C)C
InChIInChI=1S/C14H23BrO4Si/c1-17-13-8-12(15)11(9-16)7-14(13)19-10-18-5-6-20(2,3)4/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyMPOLKWPCEBTSTK-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
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 [2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol?
The IUPAC name of [2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol (CID 22486246) is [2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol.
What is the SMILES notation for [2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol?
The canonical SMILES for [2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol is COc1cc(Br)c(CO)cc1OCOCC[Si](C)(C)C.
What is the InChIKey of [2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol?
The InChIKey is MPOLKWPCEBTSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO4Si/c1-17-13-8-12(15)11(9-16)7-14(13)19-10-18-5-6-20(2,3)4/h7-8,16H,5-6,9-10H2,1-4H3.
What are the key properties of [2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol?
[2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol has a molecular weight of 363.32 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]methanol is sourced from PubChem (CID 22486246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).