2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan

C19H24O3S — CID 132600193

IUPAC2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2C2=CCCCC2)cc1
InChIInChI=1S/C19H24O3S/c1-14-9-11-16(12-10-14)23(20,21)17-13-19(2,3)22-18(17)15-7-5-4-6-8-15/h7,9-13,18H,4-6,8H2,1-3H3
InChIKeyOUZFGGPLZUROAA-UHFFFAOYSA-N
MW332.46 g/mol
LogP4.33
Rot. Bonds3

About 2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan

2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan (PubChem CID 132600193) has the molecular formula C19H24O3S and a molecular weight of 332.46 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan
PubChem CID132600193
Molecular FormulaC19H24O3S
Molecular Weight332.46 g/mol
Exact Mass332.14
IUPAC Name2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2C2=CCCCC2)cc1
InChIInChI=1S/C19H24O3S/c1-14-9-11-16(12-10-14)23(20,21)17-13-19(2,3)22-18(17)15-7-5-4-6-8-15/h7,9-13,18H,4-6,8H2,1-3H3
InChIKeyOUZFGGPLZUROAA-UHFFFAOYSA-N
XLogP4.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 54.33
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

Sulfonium, dimethyl(3-(tetrahydro-2-furanyl)propyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062274
Sulfonium, dimethyl(2-(tetrahydro-2H-pyran-2-yl)ethyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062278
2-(4-Methanesulfonylphenyl)oxirane
CID 16792009
1-methyl-4-[(E)-3-phenylmethoxyprop-1-enyl]sulfonylbenzene
CID 101696273
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-(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 2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
The IUPAC name of 2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan (CID 132600193) is 2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan.
What is the SMILES notation for 2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
The canonical SMILES for 2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan is Cc1ccc(S(=O)(=O)C2=CC(C)(C)OC2C2=CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
The InChIKey is OUZFGGPLZUROAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3S/c1-14-9-11-16(12-10-14)23(20,21)17-13-19(2,3)22-18(17)15-7-5-4-6-8-15/h7,9-13,18H,4-6,8H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan?
2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan has a molecular weight of 332.46 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan is sourced from PubChem (CID 132600193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).