2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone

C17H18O2S — CID 64637434

IUPAC2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CS(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C17H18O2S/c1-12-5-4-6-15(9-12)16(18)11-20(19)17-10-13(2)7-8-14(17)3/h4-10H,11H2,1-3H3
InChIKeyOXXWLXAPNYICSI-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.60
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone

2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone (PubChem CID 64637434) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
PubChem CID64637434
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CS(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C17H18O2S/c1-12-5-4-6-15(9-12)16(18)11-20(19)17-10-13(2)7-8-14(17)3/h4-10H,11H2,1-3H3
InChIKeyOXXWLXAPNYICSI-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

1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637430
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637079
2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
CID 64637459
2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64637062
1-(3-methylphenyl)butan-1-one
CID 4304992
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637254
2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64637243
2-(3-methylbutan-2-ylsulfinyl)-1-(3-methylphenyl)ethanone
CID 107767608
2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64638502
2-(3-methylphenyl)sulfinyl-1-phenylethanone
CID 64639967
2-butan-2-ylsulfinyl-1-(3-methylphenyl)ethanone
CID 64639266

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone (CID 64637434) is 2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CS(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone?
The InChIKey is OXXWLXAPNYICSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12-5-4-6-15(9-12)16(18)11-20(19)17-10-13(2)7-8-14(17)3/h4-10H,11H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone?
2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone 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 2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 64637434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).