1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one

C11H14O3S — CID 64640564

IUPAC1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)S(C)=O)cc1
InChIInChI=1S/C11H14O3S/c1-8(15(3)13)11(12)9-4-6-10(14-2)7-5-9/h4-8H,1-3H3
InChIKeyJHONIYAAXSLWHQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.64
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one

1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one (PubChem CID 64640564) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
PubChem CID64640564
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)S(C)=O)cc1
InChIInChI=1S/C11H14O3S/c1-8(15(3)13)11(12)9-4-6-10(14-2)7-5-9/h4-8H,1-3H3
InChIKeyJHONIYAAXSLWHQ-UHFFFAOYSA-N
XLogP1.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
1-(4-methoxyphenyl)-2-(2-methylbutylsulfinyl)propan-1-one
CID 107767821
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
sodium;2,2-dihydroxy-1-(4-methoxyphenyl)ethanone;hydride
CID 173420090
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
1-(4-methoxyphenyl)-2-methylsulfonylpropan-1-one
CID 62786269
(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 101058066
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] methanesulfonate
CID 13311957
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
4-methoxybenzoic acid;silver
CID 140722019

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one (CID 64640564) is 1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one is COc1ccc(C(=O)C(C)S(C)=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one?
The InChIKey is JHONIYAAXSLWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-8(15(3)13)11(12)9-4-6-10(14-2)7-5-9/h4-8H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one?
1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one has a molecular weight of 226.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one is sourced from PubChem (CID 64640564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).