2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan

C15H18O3S — CID 132600196

IUPAC2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan
SMILESC=CC1OC(C)(C)C=C1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18O3S/c1-5-13-14(10-15(3,4)18-13)19(16,17)12-8-6-11(2)7-9-12/h5-10,13H,1H2,2-4H3
InChIKeyYIOIQZOFTWUEDF-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.02
Rot. Bonds3

About 2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan

2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan (PubChem CID 132600196) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan.

Molecular Properties

Compound Name2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan
PubChem CID132600196
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan
SMILESC=CC1OC(C)(C)C=C1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18O3S/c1-5-13-14(10-15(3,4)18-13)19(16,17)12-8-6-11(2)7-9-12/h5-10,13H,1H2,2-4H3
InChIKeyYIOIQZOFTWUEDF-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
1-[(E)-3-ethoxy-1-fluoroprop-1-enyl]sulfonyl-4-methylbenzene
CID 101190137
Ethyl 2-(4-methylphenyl)sulfonylprop-2-enoate
CID 10753435
1-(3-Ethoxy-1-fluoropropyl)sulfonyl-4-methylbenzene
CID 121008073
1-(3-Ethoxy-1-fluoro-2-methylsulfanylpropyl)sulfonyl-4-methylbenzene
CID 134876134
[(E)-4-(4-methylphenyl)sulfonylbut-3-en-2-yl] acetate
CID 12690916
1-[(E)-2-[(E)-but-2-enoxy]but-2-enyl]sulfonyl-4-methylbenzene
CID 13146840
1-Methyl-4-[3-methyl-2-(3-methylbut-2-enoxy)but-2-enyl]sulfonylbenzene
CID 13249890
1-[2-(2-Cyclohexylideneethoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13249891
1-[2-Cyclohexylidene-2-(3-methylbut-2-enoxy)ethyl]sulfonyl-4-methylbenzene
CID 13249892
1-[2-Cyclohexylidene-2-(2-cyclohexylideneethoxy)ethyl]sulfonyl-4-methylbenzene
CID 13249893
3-[(4-Methylphenyl)sulfinyl]-2(5H)-furanone
CID 13610772

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
The IUPAC name of 2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan (CID 132600196) is 2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan.
What is the SMILES notation for 2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
The canonical SMILES for 2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan is C=CC1OC(C)(C)C=C1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
The InChIKey is YIOIQZOFTWUEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c1-5-13-14(10-15(3,4)18-13)19(16,17)12-8-6-11(2)7-9-12/h5-10,13H,1H2,2-4H3.
What are the key properties of 2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan has a molecular weight of 278.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan is sourced from PubChem (CID 132600196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).