2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane

C16H20O4S — CID 101085186

IUPAC2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane
SMILESCc1ccc(S(=O)(=O)C2=C(C3CCCCO3)OCC2)cc1
InChIInChI=1S/C16H20O4S/c1-12-5-7-13(8-6-12)21(17,18)15-9-11-20-16(15)14-4-2-3-10-19-14/h5-8,14H,2-4,9-11H2,1H3
InChIKeyYZTPIELBNCUGSV-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.97
Rot. Bonds3

About 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane

2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane (PubChem CID 101085186) has the molecular formula C16H20O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane
PubChem CID101085186
Molecular FormulaC16H20O4S
Molecular Weight308.40 g/mol
Exact Mass308.11
IUPAC Name2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane
SMILESCc1ccc(S(=O)(=O)C2=C(C3CCCCO3)OCC2)cc1
InChIInChI=1S/C16H20O4S/c1-12-5-7-13(8-6-12)21(17,18)15-9-11-20-16(15)14-4-2-3-10-19-14/h5-8,14H,2-4,9-11H2,1H3
InChIKeyYZTPIELBNCUGSV-UHFFFAOYSA-N
XLogP2.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-4-[(1R,2S)-1,2,3-trimethoxypropyl]benzene
CID 56659316
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-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
1-[3-Ethyl-2-(3-ethylpent-2-enoxy)pent-2-enyl]sulfonyl-4-methylbenzene
CID 13842677
1-(2-Cyclohexylidene-2-prop-2-enoxyethyl)sulfonyl-4-methylbenzene
CID 13842679

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane (CID 101085186) is 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane is Cc1ccc(S(=O)(=O)C2=C(C3CCCCO3)OCC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane?
The InChIKey is YZTPIELBNCUGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4S/c1-12-5-7-13(8-6-12)21(17,18)15-9-11-20-16(15)14-4-2-3-10-19-14/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane?
2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane has a molecular weight of 308.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]oxane is sourced from PubChem (CID 101085186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).