2-[1-(4-methylphenyl)sulfonylethenyl]oxolane

C13H16O3S — CID 10514974

IUPAC2-[1-(4-methylphenyl)sulfonylethenyl]oxolane
SMILESC=C(C1CCCO1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H16O3S/c1-10-5-7-12(8-6-10)17(14,15)11(2)13-4-3-9-16-13/h5-8,13H,2-4,9H2,1H3
InChIKeyNZVBLWAWBQPHFJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.46
Rot. Bonds3

About 2-[1-(4-methylphenyl)sulfonylethenyl]oxolane

2-[1-(4-methylphenyl)sulfonylethenyl]oxolane (PubChem CID 10514974) has the molecular formula C13H16O3S and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfonylethenyl]oxolane.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfonylethenyl]oxolane
PubChem CID10514974
Molecular FormulaC13H16O3S
Molecular Weight252.33 g/mol
Exact Mass252.08
IUPAC Name2-[1-(4-methylphenyl)sulfonylethenyl]oxolane
SMILESC=C(C1CCCO1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H16O3S/c1-10-5-7-12(8-6-10)17(14,15)11(2)13-4-3-9-16-13/h5-8,13H,2-4,9H2,1H3
InChIKeyNZVBLWAWBQPHFJ-UHFFFAOYSA-N
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopentyl 4-methylbenzene-1-sulfonate
CID 317685
1,1-Dioxo-1lambda6-thiolan-3-yl 4-methylbenzene-1-sulfonate
CID 3113012
(Tetrahydrofuran-2-yl)methyl 4-methylbenzenesulfonate
CID 4522871
Sulfonium, dimethyl((tetrahydro-2-furanyl)methyl)-, 4-methylbenzenesulfonate (1:1)
CID 3062268
Sulfonium, butylmethyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062270
Sulfonium, dimethyl(3-(tetrahydro-2-furanyl)propyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062274
Dimethyl-2-(tetrahydro-2-furanyl)ethylsulfonium
CID 24846345
1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
1-[(E)-3-ethoxy-1-fluoroprop-1-enyl]sulfonyl-4-methylbenzene
CID 101190137
1-(3-Ethoxy-1-fluoropropyl)sulfonyl-4-methylbenzene
CID 121008073
1-(3-Ethoxy-1-fluoro-2-methylsulfanylpropyl)sulfonyl-4-methylbenzene
CID 134876134
chloro-[[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methyl]mercury
CID 134880965

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfonylethenyl]oxolane?
The IUPAC name of 2-[1-(4-methylphenyl)sulfonylethenyl]oxolane (CID 10514974) is 2-[1-(4-methylphenyl)sulfonylethenyl]oxolane.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfonylethenyl]oxolane?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfonylethenyl]oxolane is C=C(C1CCCO1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfonylethenyl]oxolane?
The InChIKey is NZVBLWAWBQPHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3S/c1-10-5-7-12(8-6-10)17(14,15)11(2)13-4-3-9-16-13/h5-8,13H,2-4,9H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)sulfonylethenyl]oxolane?
2-[1-(4-methylphenyl)sulfonylethenyl]oxolane has a molecular weight of 252.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)sulfonylethenyl]oxolane is sourced from PubChem (CID 10514974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).