tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane

C22H31FO4Si — CID 177401675

IUPACtert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane
SMILESCOc1ccc(C(COc2ccc(F)cc2)O[Si](C)(C)C(C)(C)C)cc1OC
InChIInChI=1S/C22H31FO4Si/c1-22(2,3)28(6,7)27-21(15-26-18-11-9-17(23)10-12-18)16-8-13-19(24-4)20(14-16)25-5/h8-14,21H,15H2,1-7H3
InChIKeyYXVQHCUHKNWTIO-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.98
Rot. Bonds8

About tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane

tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane (PubChem CID 177401675) has the molecular formula C22H31FO4Si and a molecular weight of 406.57 g/mol. Its IUPAC name is tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane
PubChem CID177401675
Molecular FormulaC22H31FO4Si
Molecular Weight406.57 g/mol
Exact Mass406.20
IUPAC Nametert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane
SMILESCOc1ccc(C(COc2ccc(F)cc2)O[Si](C)(C)C(C)(C)C)cc1OC
InChIInChI=1S/C22H31FO4Si/c1-22(2,3)28(6,7)27-21(15-26-18-11-9-17(23)10-12-18)16-8-13-19(24-4)20(14-16)25-5/h8-14,21H,15H2,1-7H3
InChIKeyYXVQHCUHKNWTIO-UHFFFAOYSA-N
XLogP5.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane 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

4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol
CID 10550387
2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate
CID 91749312
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865
4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
CID 6424872
[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride
CID 23004771
4-[2-(4-fluorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22683971
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 55637736
methyl (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,3-dimethylbutanoate
CID 15605696
1,2-dimethoxy-4-[1-(2,2,2-trifluoroethoxy)propyl]benzene
CID 11680696
4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene
CID 61082919
[1-(3,4-dimethoxyphenyl)-2-phenoxyethyl]hydrazine
CID 105212929

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane (CID 177401675) is tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane is COc1ccc(C(COc2ccc(F)cc2)O[Si](C)(C)C(C)(C)C)cc1OC.
What is the InChIKey of tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane?
The InChIKey is YXVQHCUHKNWTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FO4Si/c1-22(2,3)28(6,7)27-21(15-26-18-11-9-17(23)10-12-18)16-8-13-19(24-4)20(14-16)25-5/h8-14,21H,15H2,1-7H3.
What are the key properties of tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane?
tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane has a molecular weight of 406.57 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenoxy)ethoxy]-dimethylsilane is sourced from PubChem (CID 177401675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).