5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran

C18H18O3S — CID 134930332

IUPAC5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran
SMILESCc1ccc(S(=O)(=O)C2=C(Cc3ccccc3)OCC2)cc1
InChIInChI=1S/C18H18O3S/c1-14-7-9-16(10-8-14)22(19,20)18-11-12-21-17(18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyKXFLZVWSQLNPBQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.64
Rot. Bonds4

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

5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran (PubChem CID 134930332) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran.

Molecular Properties

Compound Name5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran
PubChem CID134930332
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Name5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran
SMILESCc1ccc(S(=O)(=O)C2=C(Cc3ccccc3)OCC2)cc1
InChIInChI=1S/C18H18O3S/c1-14-7-9-16(10-8-14)22(19,20)18-11-12-21-17(18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyKXFLZVWSQLNPBQ-UHFFFAOYSA-N
XLogP3.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-(2-Cyclohexylideneethoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
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1-[2-Cyclohexylidene-2-(3-methylbut-2-enoxy)ethyl]sulfonyl-4-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran?
The IUPAC name of 5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran (CID 134930332) is 5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran.
What is the SMILES notation for 5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran?
The canonical SMILES for 5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran is Cc1ccc(S(=O)(=O)C2=C(Cc3ccccc3)OCC2)cc1.
What is the InChIKey of 5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran?
The InChIKey is KXFLZVWSQLNPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3S/c1-14-7-9-16(10-8-14)22(19,20)18-11-12-21-17(18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran?
5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran has a molecular weight of 314.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran is sourced from PubChem (CID 134930332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).