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

C17H24O3S — CID 154711752

IUPAC5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2CC(C)C)cc1
InChIInChI=1S/C17H24O3S/c1-12(2)10-15-16(11-17(4,5)20-15)21(18,19)14-8-6-13(3)7-9-14/h6-9,11-12,15H,10H2,1-5H3
InChIKeyPROKOKWGDXXLKC-UHFFFAOYSA-N
MW308.44 g/mol
LogP3.88
Rot. Bonds4

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

5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan (PubChem CID 154711752) has the molecular formula C17H24O3S and a molecular weight of 308.44 g/mol. Its IUPAC name is 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan.

Molecular Properties

Compound Name5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan
PubChem CID154711752
Molecular FormulaC17H24O3S
Molecular Weight308.44 g/mol
Exact Mass308.14
IUPAC Name5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2CC(C)C)cc1
InChIInChI=1S/C17H24O3S/c1-12(2)10-15-16(11-17(4,5)20-15)21(18,19)14-8-6-13(3)7-9-14/h6-9,11-12,15H,10H2,1-5H3
InChIKeyPROKOKWGDXXLKC-UHFFFAOYSA-N
XLogP3.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfonium, butylmethyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062270
1-[(E)-3-ethoxy-1-fluoroprop-1-enyl]sulfonyl-4-methylbenzene
CID 101190137
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
1-methyl-4-[(E)-2-prop-2-enoxybut-2-enyl]sulfonylbenzene
CID 13842659
1-[2-(3-Ethylpent-2-enoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13842669
1-Methyl-4-[3-methyl-2-(4-methyl-3-propan-2-ylpent-2-enoxy)but-2-enyl]sulfonylbenzene
CID 13842670
1-[2-(Cyclohexen-1-ylmethoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13842671
1-[3-Ethyl-2-(3-methylbut-2-enoxy)pent-2-enyl]sulfonyl-4-methylbenzene
CID 13842676

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan?
The IUPAC name of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan (CID 154711752) is 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan.
What is the SMILES notation for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan?
The canonical SMILES for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan is Cc1ccc(S(=O)(=O)C2=CC(C)(C)OC2CC(C)C)cc1.
What is the InChIKey of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan?
The InChIKey is PROKOKWGDXXLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3S/c1-12(2)10-15-16(11-17(4,5)20-15)21(18,19)14-8-6-13(3)7-9-14/h6-9,11-12,15H,10H2,1-5H3.
What are the key properties of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan?
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan has a molecular weight of 308.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-2H-furan is sourced from PubChem (CID 154711752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).