1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone

C20H25NO3Si — CID 123386972

IUPAC1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(O[Si](C)(C)C)cc1COc1c(C)cccc1C
InChIInChI=1S/C20H25NO3Si/c1-14-7-6-8-15(2)20(14)23-13-16-11-17(24-25(3,4)5)9-10-18(16)19(22)12-21/h6-12,21H,13H2,1-5H3/b21-12+
InChIKeyFHQSLZVSWDLZMO-CIAFOILYSA-N
MW355.51 g/mol
LogP4.93
Rot. Bonds7

About 1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone

1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone (PubChem CID 123386972) has the molecular formula C20H25NO3Si and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone.

Molecular Properties

Compound Name1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone
PubChem CID123386972
Molecular FormulaC20H25NO3Si
Molecular Weight355.51 g/mol
Exact Mass355.16
IUPAC Name1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(O[Si](C)(C)C)cc1COc1c(C)cccc1C
InChIInChI=1S/C20H25NO3Si/c1-14-7-6-8-15(2)20(14)23-13-16-11-17(24-25(3,4)5)9-10-18(16)19(22)12-21/h6-12,21H,13H2,1-5H3/b21-12+
InChIKeyFHQSLZVSWDLZMO-CIAFOILYSA-N
XLogP4.93
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxybenzaldehyde
CID 87211698
1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone
CID 123319892
2-imino-1-[2-[(3,4,5-trimethylphenoxy)methyl]phenyl]ethanone
CID 123634687
benzene;[3-[(2,6-dimethylphenoxy)methyl]-4-formylphenyl] acetate
CID 87367032
2-[(2,6-dimethylphenoxy)methyl]-4-methyl-6-trimethylsilyloxybenzene-1,3-dicarboxylic acid
CID 174607269
4-[(2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 22685434
2-[(2-bromo-5-methoxyphenyl)methoxy]-3-methylbenzoic acid
CID 65322657
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
2-[2-[(2,6-dimethylphenoxy)methyl]-4-triethylsilyloxyphenyl]-2-hydroxyacetonitrile
CID 87211646
4-chloro-3-[(2,6-dimethylphenoxy)methyl]aniline
CID 43350124
(2-methyl-5-trimethylsilyloxyphenyl)methanamine
CID 167728476
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone?
The IUPAC name of 1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone (CID 123386972) is 1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone.
What is the SMILES notation for 1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone?
The canonical SMILES for 1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone is [H]/N=C/C(=O)c1ccc(O[Si](C)(C)C)cc1COc1c(C)cccc1C.
What is the InChIKey of 1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone?
The InChIKey is FHQSLZVSWDLZMO-CIAFOILYSA-N. The full InChI is InChI=1S/C20H25NO3Si/c1-14-7-6-8-15(2)20(14)23-13-16-11-17(24-25(3,4)5)9-10-18(16)19(22)12-21/h6-12,21H,13H2,1-5H3/b21-12+.
What are the key properties of 1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone?
1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone has a molecular weight of 355.51 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone is sourced from PubChem (CID 123386972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).