4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran

C18H18O3S — CID 11141555

IUPAC4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran
SMILESCC1=C(S(=O)(=O)c2ccc(C)cc2)C(c2ccccc2)OC1
InChIInChI=1S/C18H18O3S/c1-13-8-10-16(11-9-13)22(19,20)18-14(2)12-21-17(18)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3
InChIKeySOWJOFRHCXZAPI-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.81
Rot. Bonds3

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

4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran (PubChem CID 11141555) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran.

Molecular Properties

Compound Name4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran
PubChem CID11141555
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Name4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran
SMILESCC1=C(S(=O)(=O)c2ccc(C)cc2)C(c2ccccc2)OC1
InChIInChI=1S/C18H18O3S/c1-13-8-10-16(11-9-13)22(19,20)18-14(2)12-21-17(18)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3
InChIKeySOWJOFRHCXZAPI-UHFFFAOYSA-N
XLogP3.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran?
The IUPAC name of 4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran (CID 11141555) is 4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran.
What is the SMILES notation for 4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran?
The canonical SMILES for 4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran is CC1=C(S(=O)(=O)c2ccc(C)cc2)C(c2ccccc2)OC1.
What is the InChIKey of 4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran?
The InChIKey is SOWJOFRHCXZAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3S/c1-13-8-10-16(11-9-13)22(19,20)18-14(2)12-21-17(18)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3.
What are the key properties of 4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran?
4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran has a molecular weight of 314.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydrofuran is sourced from PubChem (CID 11141555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).