[bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane

C23H24BrClOSi — CID 56985578

IUPAC[bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC(Br)c1cccc(Cl)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24BrClOSi/c1-23(2,3)27(20-13-6-4-7-14-20,21-15-8-5-9-16-21)26-22(24)18-11-10-12-19(25)17-18/h4-17,22H,1-3H3
InChIKeyFINQCXBWFHKABZ-UHFFFAOYSA-N
MW459.89 g/mol
LogP6.31
Rot. Bonds5

About [bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane

[bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane (PubChem CID 56985578) has the molecular formula C23H24BrClOSi and a molecular weight of 459.89 g/mol. Its IUPAC name is [bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane
PubChem CID56985578
Molecular FormulaC23H24BrClOSi
Molecular Weight459.89 g/mol
Exact Mass458.05
IUPAC Name[bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC(Br)c1cccc(Cl)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24BrClOSi/c1-23(2,3)27(20-13-6-4-7-14-20,21-15-8-5-9-16-21)26-22(24)18-11-10-12-19(25)17-18/h4-17,22H,1-3H3
InChIKeyFINQCXBWFHKABZ-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.89
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
CID 59466620
(3-chlorophenyl)-methyl-diphenylsilane
CID 101069802
diethyl (3S)-2-bromo-3-[tert-butyl(diphenyl)silyl]oxybutanedioate
CID 177463160
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane
CID 134831581
(1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methyl-1-phenylpentan-3-one
CID 101072666
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919

Frequently Asked Questions

What is the IUPAC name of [bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane (CID 56985578) is [bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC(Br)c1cccc(Cl)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane?
The InChIKey is FINQCXBWFHKABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrClOSi/c1-23(2,3)27(20-13-6-4-7-14-20,21-15-8-5-9-16-21)26-22(24)18-11-10-12-19(25)17-18/h4-17,22H,1-3H3.
What are the key properties of [bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane?
[bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane has a molecular weight of 459.89 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo-(3-chlorophenyl)methoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 56985578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).