tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane

C28H35F2NO2Si — CID 70186593

IUPACtert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane
SMILESCc1c(F)cc(-c2ccc(OCC(CCc3cccnc3)O[Si](C)(C)C(C)(C)C)cc2)cc1F
InChIInChI=1S/C28H35F2NO2Si/c1-20-26(29)16-23(17-27(20)30)22-10-13-24(14-11-22)32-19-25(33-34(5,6)28(2,3)4)12-9-21-8-7-15-31-18-21/h7-8,10-11,13-18,25H,9,12,19H2,1-6H3
InChIKeyQKJYCKVUWPCJBX-UHFFFAOYSA-N
MW483.68 g/mol
LogP7.74
Rot. Bonds9

About tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane

tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane (PubChem CID 70186593) has the molecular formula C28H35F2NO2Si and a molecular weight of 483.68 g/mol. Its IUPAC name is tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane
PubChem CID70186593
Molecular FormulaC28H35F2NO2Si
Molecular Weight483.68 g/mol
Exact Mass483.24
IUPAC Nametert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane
SMILESCc1c(F)cc(-c2ccc(OCC(CCc3cccnc3)O[Si](C)(C)C(C)(C)C)cc2)cc1F
InChIInChI=1S/C28H35F2NO2Si/c1-20-26(29)16-23(17-27(20)30)22-10-13-24(14-11-22)32-19-25(33-34(5,6)28(2,3)4)12-9-21-8-7-15-31-18-21/h7-8,10-11,13-18,25H,9,12,19H2,1-6H3
InChIKeyQKJYCKVUWPCJBX-UHFFFAOYSA-N
XLogP7.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.68
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane with MolForge

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Related Compounds

[4-[4-[tert-butyl(dimethyl)silyl]oxy-6-pyridin-3-ylhexan-3-yl]oxyphenyl]boronic acid
CID 18367604
4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one
CID 54376995
1-[1-[4-(3-methoxyphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]pyrrole-2,5-diol
CID 54152747
4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one
CID 20637932
1-(2-fluoro-4-methoxyphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 103397402
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 106883832
(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 97321622
1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 61167930
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105115823
[1-(4-chloro-2-fluorophenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 105328422

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane (CID 70186593) is tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane is Cc1c(F)cc(-c2ccc(OCC(CCc3cccnc3)O[Si](C)(C)C(C)(C)C)cc2)cc1F.
What is the InChIKey of tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane?
The InChIKey is QKJYCKVUWPCJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2NO2Si/c1-20-26(29)16-23(17-27(20)30)22-10-13-24(14-11-22)32-19-25(33-34(5,6)28(2,3)4)12-9-21-8-7-15-31-18-21/h7-8,10-11,13-18,25H,9,12,19H2,1-6H3.
What are the key properties of tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane?
tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane has a molecular weight of 483.68 g/mol, XLogP of 7.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[4-(3,5-difluoro-4-methylphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 70186593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).