5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan

C18H18O3S — CID 175805128

IUPAC5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CCOC2(C)c2ccccc2)cc1
InChIInChI=1S/C18H18O3S/c1-14-8-10-16(11-9-14)22(19,20)17-12-13-21-18(17,2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyOVIKWOHEHLQYFG-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.60
Rot. Bonds3

About 5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan

5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan (PubChem CID 175805128) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan.

Molecular Properties

Compound Name5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan
PubChem CID175805128
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Name5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan
SMILESCc1ccc(S(=O)(=O)C2=CCOC2(C)c2ccccc2)cc1
InChIInChI=1S/C18H18O3S/c1-14-8-10-16(11-9-14)22(19,20)17-12-13-21-18(17,2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyOVIKWOHEHLQYFG-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan?
The IUPAC name of 5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan (CID 175805128) is 5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan.
What is the SMILES notation for 5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan?
The canonical SMILES for 5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan is Cc1ccc(S(=O)(=O)C2=CCOC2(C)c2ccccc2)cc1.
What is the InChIKey of 5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan?
The InChIKey is OVIKWOHEHLQYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3S/c1-14-8-10-16(11-9-14)22(19,20)17-12-13-21-18(17,2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3.
What are the key properties of 5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan?
5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan has a molecular weight of 314.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylphenyl)sulfonyl-5-phenyl-2H-furan is sourced from PubChem (CID 175805128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).