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

C12H15FO4S — CID 64641137

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone
SMILESCOCCS(=O)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO4S/c1-16-5-6-18(15)8-11(14)9-3-4-12(17-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyDAVFJIADSJNNSF-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.41
Rot. Bonds7

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

1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone (PubChem CID 64641137) has the molecular formula C12H15FO4S and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone
PubChem CID64641137
Molecular FormulaC12H15FO4S
Molecular Weight274.31 g/mol
Exact Mass274.07
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone
SMILESCOCCS(=O)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO4S/c1-16-5-6-18(15)8-11(14)9-3-4-12(17-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyDAVFJIADSJNNSF-UHFFFAOYSA-N
XLogP1.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanone
CID 64644347
2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64640312
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
1-(3-fluoro-4-methoxyphenyl)pent-4-en-1-one
CID 146006736
1-(3-fluoro-4-methoxyphenyl)-4-(methylamino)butan-1-one
CID 116555583

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone (CID 64641137) is 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone is COCCS(=O)CC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone?
The InChIKey is DAVFJIADSJNNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4S/c1-16-5-6-18(15)8-11(14)9-3-4-12(17-2)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-methoxyethylsulfinyl)ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone has a molecular weight of 274.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylsulfinyl)ethanone is sourced from PubChem (CID 64641137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).