1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone

C12H15FO5S — CID 64644347

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone
SMILESCOCCS(=O)(=O)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO5S/c1-17-5-6-19(15,16)8-11(14)9-3-4-12(18-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyOVEGJQLVMLQVLH-UHFFFAOYSA-N
MW290.31 g/mol
LogP1.08
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone

1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone (PubChem CID 64644347) has the molecular formula C12H15FO5S and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone
PubChem CID64644347
Molecular FormulaC12H15FO5S
Molecular Weight290.31 g/mol
Exact Mass290.06
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone
SMILESCOCCS(=O)(=O)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO5S/c1-17-5-6-19(15,16)8-11(14)9-3-4-12(18-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyOVEGJQLVMLQVLH-UHFFFAOYSA-N
XLogP1.08
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone
CID 64641137
4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)butane-1,3-dione
CID 15484969
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanone
CID 64636580
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
1-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589430

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone (CID 64644347) is 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone is COCCS(=O)(=O)CC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone?
The InChIKey is OVEGJQLVMLQVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO5S/c1-17-5-6-19(15,16)8-11(14)9-3-4-12(18-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone has a molecular weight of 290.31 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone is sourced from PubChem (CID 64644347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).