2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone

C26H29BrO3Si — CID 87439861

IUPAC2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone
SMILESCC(C)(C)[Si](OCCOc1ccc(C(=O)CBr)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29BrO3Si/c1-26(2,3)31(23-10-6-4-7-11-23,24-12-8-5-9-13-24)30-19-18-29-22-16-14-21(15-17-22)25(28)20-27/h4-17H,18-20H2,1-3H3
InChIKeyDDLBZYFSWGDEDC-UHFFFAOYSA-N
MW497.51 g/mol
LogP5.22
Rot. Bonds9

About 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone

2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone (PubChem CID 87439861) has the molecular formula C26H29BrO3Si and a molecular weight of 497.51 g/mol. Its IUPAC name is 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone
PubChem CID87439861
Molecular FormulaC26H29BrO3Si
Molecular Weight497.51 g/mol
Exact Mass496.11
IUPAC Name2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone
SMILESCC(C)(C)[Si](OCCOc1ccc(C(=O)CBr)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29BrO3Si/c1-26(2,3)31(23-10-6-4-7-11-23,24-12-8-5-9-13-24)30-19-18-29-22-16-14-21(15-17-22)25(28)20-27/h4-17H,18-20H2,1-3H3
InChIKeyDDLBZYFSWGDEDC-UHFFFAOYSA-N
XLogP5.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.51
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
CID 91800510
4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid
CID 22949908
2-bromo-1-(4-butoxyphenyl)ethanone
CID 11288719
2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone
CID 178142191
2-bromo-1-(4-decoxyphenyl)ethanone
CID 13435454
methyl 5-bromo-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4-fluorobenzoate
CID 163395148
2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethylcarbamic acid
CID 174053128
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone?
The IUPAC name of 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone (CID 87439861) is 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone?
The canonical SMILES for 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone is CC(C)(C)[Si](OCCOc1ccc(C(=O)CBr)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone?
The InChIKey is DDLBZYFSWGDEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29BrO3Si/c1-26(2,3)31(23-10-6-4-7-11-23,24-12-8-5-9-13-24)30-19-18-29-22-16-14-21(15-17-22)25(28)20-27/h4-17H,18-20H2,1-3H3.
What are the key properties of 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone?
2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone has a molecular weight of 497.51 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone is sourced from PubChem (CID 87439861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).