2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone

C14H20O4S — CID 64644353

IUPAC2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCOCCS(=O)(=O)CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H20O4S/c1-10-7-11(2)14(12(3)8-10)13(15)9-19(16,17)6-5-18-4/h7-8H,5-6,9H2,1-4H3
InChIKeyOXQDOINASKMIBG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.86
Rot. Bonds6

About 2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone

2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 64644353) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID64644353
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCOCCS(=O)(=O)CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H20O4S/c1-10-7-11(2)14(12(3)8-10)13(15)9-19(16,17)6-5-18-4/h7-8H,5-6,9H2,1-4H3
InChIKeyOXQDOINASKMIBG-UHFFFAOYSA-N
XLogP1.86
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 64641613
2-(2-methoxyethylsulfonyl)-1-(2-methylphenyl)ethanone
CID 64642016
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
2-(3-methoxypropylsulfonyl)-1-(3-methylphenyl)ethanone
CID 64637916
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone
CID 64644347
2-(oxolan-2-ylmethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 106497039
2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone
CID 64638048
2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64674463
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
2-(3-methoxypropylsulfonyl)-1-(5-methylthiophen-2-yl)ethanone
CID 64637339
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone
CID 106883090

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone (CID 64644353) is 2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone is COCCS(=O)(=O)CC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is OXQDOINASKMIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-10-7-11(2)14(12(3)8-10)13(15)9-19(16,17)6-5-18-4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 284.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 64644353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).