[5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane

C17H23BrO2Si — CID 19006181

IUPAC[5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H23BrO2Si/c1-17(2,3)21(4,5)19-12-15-9-10-16(20-15)13-7-6-8-14(18)11-13/h6-11H,12H2,1-5H3
InChIKeyXHLLTJPOTFDGJM-UHFFFAOYSA-N
MW367.36 g/mol
LogP6.23
Rot. Bonds4

About [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane

[5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 19006181) has the molecular formula C17H23BrO2Si and a molecular weight of 367.36 g/mol. Its IUPAC name is [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID19006181
Molecular FormulaC17H23BrO2Si
Molecular Weight367.36 g/mol
Exact Mass366.07
IUPAC Name[5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H23BrO2Si/c1-17(2,3)21(4,5)19-12-15-9-10-16(20-15)13-7-6-8-14(18)11-13/h6-11H,12H2,1-5H3
InChIKeyXHLLTJPOTFDGJM-UHFFFAOYSA-N
XLogP6.23
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.36
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 19006181) is [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(-c2cccc(Br)c2)o1.
What is the InChIKey of [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is XHLLTJPOTFDGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO2Si/c1-17(2,3)21(4,5)19-12-15-9-10-16(20-15)13-7-6-8-14(18)11-13/h6-11H,12H2,1-5H3.
What are the key properties of [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane?
[5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 367.36 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 19006181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).