tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane

C33H43FO3Si2 — CID 10875422

IUPACtert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2=Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3OC2c2ccc(F)cc2)cc1
InChIInChI=1S/C33H43FO3Si2/c1-32(2,3)38(7,8)36-27-18-13-23(14-19-27)29-21-25-15-20-28(37-39(9,10)33(4,5)6)22-30(25)35-31(29)24-11-16-26(34)17-12-24/h11-22,31H,1-10H3
InChIKeyNHRATIDEMOIKNP-UHFFFAOYSA-N
MW562.87 g/mol
LogP10.27
Rot. Bonds6

About tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane

tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane (PubChem CID 10875422) has the molecular formula C33H43FO3Si2 and a molecular weight of 562.87 g/mol. Its IUPAC name is tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane
PubChem CID10875422
Molecular FormulaC33H43FO3Si2
Molecular Weight562.87 g/mol
Exact Mass562.27
IUPAC Nametert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2=Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3OC2c2ccc(F)cc2)cc1
InChIInChI=1S/C33H43FO3Si2/c1-32(2,3)38(7,8)36-27-18-13-23(14-19-27)29-21-25-15-20-28(37-39(9,10)33(4,5)6)22-30(25)35-31(29)24-11-16-26(34)17-12-24/h11-22,31H,1-10H3
InChIKeyNHRATIDEMOIKNP-UHFFFAOYSA-N
XLogP10.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.87
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-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 tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane (CID 10875422) is tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(C2=Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3OC2c2ccc(F)cc2)cc1.
What is the InChIKey of tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane?
The InChIKey is NHRATIDEMOIKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43FO3Si2/c1-32(2,3)38(7,8)36-27-18-13-23(14-19-27)29-21-25-15-20-28(37-39(9,10)33(4,5)6)22-30(25)35-31(29)24-11-16-26(34)17-12-24/h11-22,31H,1-10H3.
What are the key properties of tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane?
tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane has a molecular weight of 562.87 g/mol, XLogP of 10.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane is sourced from PubChem (CID 10875422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).