2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone

C31H30ClFO3Si — CID 178142191

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(C)(C)[Si](OCC(=O)c1ccc(OCc2c(F)cccc2Cl)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30ClFO3Si/c1-31(2,3)37(25-11-6-4-7-12-25,26-13-8-5-9-14-26)36-22-30(34)23-17-19-24(20-18-23)35-21-27-28(32)15-10-16-29(27)33/h4-20H,21-22H2,1-3H3
InChIKeyARGBDUNLAUTKNA-UHFFFAOYSA-N
MW533.12 g/mol
LogP6.82
Rot. Bonds9

About 2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone

2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone (PubChem CID 178142191) has the molecular formula C31H30ClFO3Si and a molecular weight of 533.12 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone
PubChem CID178142191
Molecular FormulaC31H30ClFO3Si
Molecular Weight533.12 g/mol
Exact Mass532.16
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(C)(C)[Si](OCC(=O)c1ccc(OCc2c(F)cccc2Cl)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30ClFO3Si/c1-31(2,3)37(25-11-6-4-7-12-25,26-13-8-5-9-14-26)36-22-30(34)23-17-19-24(20-18-23)35-21-27-28(32)15-10-16-29(27)33/h4-20H,21-22H2,1-3H3
InChIKeyARGBDUNLAUTKNA-UHFFFAOYSA-N
XLogP6.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.12
LogP ≤ 56.82
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-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83950958
2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone
CID 87439861
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257
N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999636
methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate
CID 175813154
3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880366
4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
CID 22685655
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
CID 178141121
N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-methylpropanamide
CID 39818810
(2E)-2-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 6150631
1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 43337746
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone (CID 178142191) is 2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone is CC(C)(C)[Si](OCC(=O)c1ccc(OCc2c(F)cccc2Cl)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone?
The InChIKey is ARGBDUNLAUTKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClFO3Si/c1-31(2,3)37(25-11-6-4-7-12-25,26-13-8-5-9-14-26)36-22-30(34)23-17-19-24(20-18-23)35-21-27-28(32)15-10-16-29(27)33/h4-20H,21-22H2,1-3H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone?
2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone has a molecular weight of 533.12 g/mol, XLogP of 6.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 178142191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).