[4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane

C19H24BrFOSi — CID 15661517

IUPAC[4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(-c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C19H24BrFOSi/c1-19(2,3)23(4,5)22-13-14-6-8-15(9-7-14)16-10-17(20)12-18(21)11-16/h6-12H,13H2,1-5H3
InChIKeyWLNKMOGSIKBGPA-UHFFFAOYSA-N
MW395.39 g/mol
LogP6.78
Rot. Bonds4

About [4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane

[4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 15661517) has the molecular formula C19H24BrFOSi and a molecular weight of 395.39 g/mol. Its IUPAC name is [4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane
PubChem CID15661517
Molecular FormulaC19H24BrFOSi
Molecular Weight395.39 g/mol
Exact Mass394.08
IUPAC Name[4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(-c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C19H24BrFOSi/c1-19(2,3)23(4,5)22-13-14-6-8-15(9-7-14)16-10-17(20)12-18(21)11-16/h6-12H,13H2,1-5H3
InChIKeyWLNKMOGSIKBGPA-UHFFFAOYSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.39
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane (CID 15661517) is [4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(-c2cc(F)cc(Br)c2)cc1.
What is the InChIKey of [4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is WLNKMOGSIKBGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrFOSi/c1-19(2,3)23(4,5)22-13-14-6-8-15(9-7-14)16-10-17(20)12-18(21)11-16/h6-12H,13H2,1-5H3.
What are the key properties of [4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane?
[4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 395.39 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-5-fluorophenyl)phenyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15661517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).