[1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane

C22H31BrO2Si — CID 10982958

IUPAC[1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(COCc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C22H31BrO2Si/c1-22(2,3)26(4,5)25-21(15-18-11-13-20(23)14-12-18)17-24-16-19-9-7-6-8-10-19/h6-14,21H,15-17H2,1-5H3
InChIKeyPUXQBXXJYYSAIT-UHFFFAOYSA-N
MW435.48 g/mol
LogP6.60
Rot. Bonds8

About [1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane

[1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10982958) has the molecular formula C22H31BrO2Si and a molecular weight of 435.48 g/mol. Its IUPAC name is [1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10982958
Molecular FormulaC22H31BrO2Si
Molecular Weight435.48 g/mol
Exact Mass434.13
IUPAC Name[1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(COCc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C22H31BrO2Si/c1-22(2,3)26(4,5)25-21(15-18-11-13-20(23)14-12-18)17-24-16-19-9-7-6-8-10-19/h6-14,21H,15-17H2,1-5H3
InChIKeyPUXQBXXJYYSAIT-UHFFFAOYSA-N
XLogP6.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408
1-Bromo-4-((propan-2-yloxy)methyl)benzene
CID 21876945
1-Bromo-4-((2-methoxyethoxy)methyl)benzene
CID 21997565
1-bromo-4-[(1R)-1-methoxyethyl]benzene
CID 51534482
2-Phenyl-3-(4-bromophenyl)-oxirane
CID 560688
(4-Bromophenyl)methoxy-triethylsilane
CID 10756691
4-Bromobenzyloxy-tert-butyldimethylsilane
CID 10859583
trans-2-(4-Bromophenyl)-5-propyltetrahydro-2H-pyran
CID 16080144
[(R)-[(2S,3R)-3-(5-bromo-2-fluorophenyl)oxiran-2-yl]-(4-methylphenyl)methoxy]-tert-butyl-dimethylsilane
CID 138977710
(2R,3R)-2-(4-bromophenyl)-3-phenyloxirane
CID 12069743
tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083178

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane (CID 10982958) is [1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC(COCc1ccccc1)Cc1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is PUXQBXXJYYSAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31BrO2Si/c1-22(2,3)26(4,5)25-21(15-18-11-13-20(23)14-12-18)17-24-16-19-9-7-6-8-10-19/h6-14,21H,15-17H2,1-5H3.
What are the key properties of [1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane?
[1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 435.48 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-3-phenylmethoxypropan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10982958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).