[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane

C25H29BrO2Si — CID 171654224

IUPAC[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
SMILESCOc1cc(CBr)ccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H29BrO2Si/c1-25(2,3)29(22-11-7-5-8-12-22,23-13-9-6-10-14-23)28-19-21-16-15-20(18-26)17-24(21)27-4/h5-17H,18-19H2,1-4H3
InChIKeyIRRYIUNVLXRZNX-UHFFFAOYSA-N
MW469.50 g/mol
LogP5.67
Rot. Bonds7

About [4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane

[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 171654224) has the molecular formula C25H29BrO2Si and a molecular weight of 469.50 g/mol. Its IUPAC name is [4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
PubChem CID171654224
Molecular FormulaC25H29BrO2Si
Molecular Weight469.50 g/mol
Exact Mass468.11
IUPAC Name[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
SMILESCOc1cc(CBr)ccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H29BrO2Si/c1-25(2,3)29(22-11-7-5-8-12-22,23-13-9-6-10-14-23)28-19-21-16-15-20(18-26)17-24(21)27-4/h5-17H,18-19H2,1-4H3
InChIKeyIRRYIUNVLXRZNX-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane
CID 91177193
(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane
CID 10670102
(2S)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyanilino]-3-phenylpropanoic acid
CID 70073946
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
CID 153278666
1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone
CID 10555524
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridin-2-amine
CID 59295334

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane (CID 171654224) is [4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane is COc1cc(CBr)ccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is IRRYIUNVLXRZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrO2Si/c1-25(2,3)29(22-11-7-5-8-12-22,23-13-9-6-10-14-23)28-19-21-16-15-20(18-26)17-24(21)27-4/h5-17H,18-19H2,1-4H3.
What are the key properties of [4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane?
[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 469.50 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 171654224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).