2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone

C15H22O2S — CID 64640317

IUPAC2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CS(=O)CC(C)C)cc1
InChIInChI=1S/C15H22O2S/c1-4-5-13-6-8-14(9-7-13)15(16)11-18(17)10-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeySXEQBIHZNQQGAR-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.23
Rot. Bonds7

About 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone

2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone (PubChem CID 64640317) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone
PubChem CID64640317
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CS(=O)CC(C)C)cc1
InChIInChI=1S/C15H22O2S/c1-4-5-13-6-8-14(9-7-13)15(16)11-18(17)10-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeySXEQBIHZNQQGAR-UHFFFAOYSA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
1-(4-propylphenyl)decan-1-one
CID 65449493
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
1-(4-butylphenyl)-3-methylbutan-1-one
CID 43160107
3-(2-methylpropylsulfinyl)-1-phenylpropan-1-one
CID 116694921
1-[4-(4-propylphenyl)phenyl]pentan-1-one
CID 142331606
2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone
CID 107771489
2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone
CID 43795164
methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone
CID 64639917
4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide
CID 9300683

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone (CID 64640317) is 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CS(=O)CC(C)C)cc1.
What is the InChIKey of 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone?
The InChIKey is SXEQBIHZNQQGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-4-5-13-6-8-14(9-7-13)15(16)11-18(17)10-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone?
2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 64640317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).