4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran

C15H18O4S — CID 11289396

IUPAC4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran
SMILESCc1ccc(S(=O)(=O)C2=C(C3CCCO3)OCC2)cc1
InChIInChI=1S/C15H18O4S/c1-11-4-6-12(7-5-11)20(16,17)14-8-10-19-15(14)13-3-2-9-18-13/h4-7,13H,2-3,8-10H2,1H3
InChIKeyXMKBSSSXGHSXDU-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.58
Rot. Bonds3

About 4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran

4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran (PubChem CID 11289396) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran
PubChem CID11289396
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran
SMILESCc1ccc(S(=O)(=O)C2=C(C3CCCO3)OCC2)cc1
InChIInChI=1S/C15H18O4S/c1-11-4-6-12(7-5-11)20(16,17)14-8-10-19-15(14)13-3-2-9-18-13/h4-7,13H,2-3,8-10H2,1H3
InChIKeyXMKBSSSXGHSXDU-UHFFFAOYSA-N
XLogP2.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Tetrahydrofuran-2-yl)methyl 4-methylbenzenesulfonate
CID 4522871
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-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-[3-Ethyl-2-(3-methylbut-2-enoxy)pent-2-enyl]sulfonyl-4-methylbenzene
CID 13842676
5,5,6-Trifluoro-6-(4-methylphenyl)sulfonyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 24785396
3-[2-(fluoromethyl)prop-2-enoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan
CID 139894192
2-methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(E)-2-methyl-3-(4-methylsulfonylphenyl)prop-2-enylidene]tetrahydrofuran-2-yl]pyran-4-one
CID 122606040
2-(1-Tosylvinyl)tetrahydrofuran
CID 10514974
2-[4-(4-Methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]-1,3-dioxane
CID 11255349
3-(4-Methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran
CID 14296297

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran (CID 11289396) is 4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran is Cc1ccc(S(=O)(=O)C2=C(C3CCCO3)OCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran?
The InChIKey is XMKBSSSXGHSXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c1-11-4-6-12(7-5-11)20(16,17)14-8-10-19-15(14)13-3-2-9-18-13/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran?
4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran has a molecular weight of 294.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-5-(oxolan-2-yl)-2,3-dihydrofuran is sourced from PubChem (CID 11289396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).