1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone

C15H22F2O3Si — CID 167736306

IUPAC1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC(F)F)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H22F2O3Si/c1-10(18)11-7-8-12(19-14(16)17)13(9-11)20-21(5,6)15(2,3)4/h7-9,14H,1-6H3
InChIKeyRYCGJZCWQRHCSB-UHFFFAOYSA-N
MW316.42 g/mol
LogP4.87
Rot. Bonds5

About 1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone

1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone (PubChem CID 167736306) has the molecular formula C15H22F2O3Si and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
PubChem CID167736306
Molecular FormulaC15H22F2O3Si
Molecular Weight316.42 g/mol
Exact Mass316.13
IUPAC Name1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC(F)F)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H22F2O3Si/c1-10(18)11-7-8-12(19-14(16)17)13(9-11)20-21(5,6)15(2,3)4/h7-9,14H,1-6H3
InChIKeyRYCGJZCWQRHCSB-UHFFFAOYSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
CID 167714781
1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone
CID 170997927
1-[6-acetyl-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]phenanthren-3-yl]ethanone
CID 10602113
1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-bromoethanone
CID 142730774
1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
CID 170996131
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-(1-methylcyclohexyl)phenyl]ethanone
CID 10617602
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
3-[3,4-bis(difluoromethoxy)phenyl]but-2-enoic acid
CID 66604449
N-[3-acetyl-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetamide
CID 167715007
2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde
CID 88954051
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide
CID 18942782

Frequently Asked Questions

What is the IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone (CID 167736306) is 1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone is CC(=O)c1ccc(OC(F)F)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone?
The InChIKey is RYCGJZCWQRHCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O3Si/c1-10(18)11-7-8-12(19-14(16)17)13(9-11)20-21(5,6)15(2,3)4/h7-9,14H,1-6H3.
What are the key properties of 1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone?
1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone has a molecular weight of 316.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 167736306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).