1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone

C14H20O2S — CID 64639917

IUPAC1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone
SMILESCc1ccc(C(=O)CS(=O)CC(C)C)c(C)c1
InChIInChI=1S/C14H20O2S/c1-10(2)8-17(16)9-14(15)13-6-5-11(3)7-12(13)4/h5-7,10H,8-9H2,1-4H3
InChIKeyAGXJULNRVCPBTM-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.89
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone

1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone (PubChem CID 64639917) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone
PubChem CID64639917
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone
SMILESCc1ccc(C(=O)CS(=O)CC(C)C)c(C)c1
InChIInChI=1S/C14H20O2S/c1-10(2)8-17(16)9-14(15)13-6-5-11(3)7-12(13)4/h5-7,10H,8-9H2,1-4H3
InChIKeyAGXJULNRVCPBTM-UHFFFAOYSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64639475
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one
CID 55262245
1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
CID 55120466
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone
CID 64640317
1-(2,4-dimethylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62031492
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone
CID 63565930
3-(4-aminophenyl)-1-(2,4-dimethylphenyl)butan-1-one
CID 116612673
3-(2,4-dimethylphenyl)-N-methyl-3-oxopropanethioamide
CID 142659824

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone (CID 64639917) is 1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone is Cc1ccc(C(=O)CS(=O)CC(C)C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone?
The InChIKey is AGXJULNRVCPBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-10(2)8-17(16)9-14(15)13-6-5-11(3)7-12(13)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone?
1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone is sourced from PubChem (CID 64639917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).