1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone

C17H18O2S — CID 64639745

IUPAC1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C17H18O2S/c1-12-8-9-15(14(3)10-12)16(18)11-20(19)17-7-5-4-6-13(17)2/h4-10H,11H2,1-3H3
InChIKeyOFVWYJGNAZMHJY-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.60
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone

1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone (PubChem CID 64639745) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
PubChem CID64639745
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C17H18O2S/c1-12-8-9-15(14(3)10-12)16(18)11-20(19)17-7-5-4-6-13(17)2/h4-10H,11H2,1-3H3
InChIKeyOFVWYJGNAZMHJY-UHFFFAOYSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64638938
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64640545
2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64639475
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638337
1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
CID 12729207
1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone
CID 64639917
1-(2-methylphenyl)sulfinylbutan-2-one
CID 64641154
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 64636678

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone (CID 64639745) is 1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone is Cc1ccc(C(=O)CS(=O)c2ccccc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone?
The InChIKey is OFVWYJGNAZMHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12-8-9-15(14(3)10-12)16(18)11-20(19)17-7-5-4-6-13(17)2/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone?
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone has a molecular weight of 286.40 g/mol, XLogP of 3.60, 4 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-methylphenyl)sulfinylethanone is sourced from PubChem (CID 64639745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).