1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone

C14H21BrO2Si — CID 167714781

IUPAC1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
SMILESCC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(Br)c1
InChIInChI=1S/C14H21BrO2Si/c1-10(16)11-7-8-13(12(15)9-11)17-18(5,6)14(2,3)4/h7-9H,1-6H3
InChIKeyPBZXNBCYSKHHAX-UHFFFAOYSA-N
MW329.31 g/mol
LogP5.04
Rot. Bonds3

About 1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone

1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone (PubChem CID 167714781) has the molecular formula C14H21BrO2Si and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
PubChem CID167714781
Molecular FormulaC14H21BrO2Si
Molecular Weight329.31 g/mol
Exact Mass328.05
IUPAC Name1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
SMILESCC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(Br)c1
InChIInChI=1S/C14H21BrO2Si/c1-10(16)11-7-8-13(12(15)9-11)17-18(5,6)14(2,3)4/h7-9H,1-6H3
InChIKeyPBZXNBCYSKHHAX-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.31
LogP ≤ 55.04
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-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
CID 167736306
1-[6-acetyl-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]phenanthren-3-yl]ethanone
CID 10602113
3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol
CID 58833573
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone
CID 10617602
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
N-[3-acetyl-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetamide
CID 167715007
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-bromoethanone
CID 142730774
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
1-[3-bromo-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 84712348
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone
CID 106202171
1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone
CID 62908521

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone?
The IUPAC name of 1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone (CID 167714781) is 1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone?
The canonical SMILES for 1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone is CC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone?
The InChIKey is PBZXNBCYSKHHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2Si/c1-10(16)11-7-8-13(12(15)9-11)17-18(5,6)14(2,3)4/h7-9H,1-6H3.
What are the key properties of 1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone?
1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone has a molecular weight of 329.31 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone is sourced from PubChem (CID 167714781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).