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

C14H18O3S — CID 10801725

IUPAC2-[1-(4-methylphenyl)sulfonylethenyl]oxane
SMILESC=C(C1CCCCO1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H18O3S/c1-11-6-8-13(9-7-11)18(15,16)12(2)14-5-3-4-10-17-14/h6-9,14H,2-5,10H2,1H3
InChIKeyOQJJISSSSWMXFK-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.85
Rot. Bonds3

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

2-[1-(4-methylphenyl)sulfonylethenyl]oxane (PubChem CID 10801725) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfonylethenyl]oxane.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfonylethenyl]oxane
PubChem CID10801725
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name2-[1-(4-methylphenyl)sulfonylethenyl]oxane
SMILESC=C(C1CCCCO1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H18O3S/c1-11-6-8-13(9-7-11)18(15,16)12(2)14-5-3-4-10-17-14/h6-9,14H,2-5,10H2,1H3
InChIKeyOQJJISSSSWMXFK-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfonylethenyl]oxane?
The IUPAC name of 2-[1-(4-methylphenyl)sulfonylethenyl]oxane (CID 10801725) is 2-[1-(4-methylphenyl)sulfonylethenyl]oxane.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfonylethenyl]oxane?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfonylethenyl]oxane is C=C(C1CCCCO1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfonylethenyl]oxane?
The InChIKey is OQJJISSSSWMXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-11-6-8-13(9-7-11)18(15,16)12(2)14-5-3-4-10-17-14/h6-9,14H,2-5,10H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)sulfonylethenyl]oxane?
2-[1-(4-methylphenyl)sulfonylethenyl]oxane has a molecular weight of 266.36 g/mol, XLogP of 2.85, 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]oxane is sourced from PubChem (CID 10801725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).