2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone

C16H22O3S — CID 107764229

IUPAC2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CS(=O)C2CCOC2C)cc1
InChIInChI=1S/C16H22O3S/c1-11(2)13-4-6-14(7-5-13)15(17)10-20(18)16-8-9-19-12(16)3/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyMNEXFHPEMZWQPM-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.92
Rot. Bonds5

About 2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone

2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 107764229) has the molecular formula C16H22O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
PubChem CID107764229
Molecular FormulaC16H22O3S
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CS(=O)C2CCOC2C)cc1
InChIInChI=1S/C16H22O3S/c1-11(2)13-4-6-14(7-5-13)15(17)10-20(18)16-8-9-19-12(16)3/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyMNEXFHPEMZWQPM-UHFFFAOYSA-N
XLogP2.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764333
2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639953
1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764329
3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
CID 107764349
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide
CID 99108035
benzyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753081
3-[(2-methyloxolan-3-yl)sulfinylmethyl]benzoic acid
CID 107753094
1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968400
4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758428
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone (CID 107764229) is 2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CS(=O)C2CCOC2C)cc1.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is MNEXFHPEMZWQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3S/c1-11(2)13-4-6-14(7-5-13)15(17)10-20(18)16-8-9-19-12(16)3/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone?
2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 294.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 107764229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).