4-(4-methylsulfonylphenyl)-3H-furan-2-one

C11H10O4S — CID 69417140

IUPAC4-(4-methylsulfonylphenyl)-3H-furan-2-one
SMILESCS(=O)(=O)c1ccc(C2=COC(=O)C2)cc1
InChIInChI=1S/C11H10O4S/c1-16(13,14)10-4-2-8(3-5-10)9-6-11(12)15-7-9/h2-5,7H,6H2,1H3
InChIKeyAJCBUTSADHNMJK-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.38
Rot. Bonds2

About 4-(4-methylsulfonylphenyl)-3H-furan-2-one

4-(4-methylsulfonylphenyl)-3H-furan-2-one (PubChem CID 69417140) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-3H-furan-2-one.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-3H-furan-2-one
PubChem CID69417140
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name4-(4-methylsulfonylphenyl)-3H-furan-2-one
SMILESCS(=O)(=O)c1ccc(C2=COC(=O)C2)cc1
InChIInChI=1S/C11H10O4S/c1-16(13,14)10-4-2-8(3-5-10)9-6-11(12)15-7-9/h2-5,7H,6H2,1H3
InChIKeyAJCBUTSADHNMJK-UHFFFAOYSA-N
XLogP1.38
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[4-(4-methylsulfonylphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 158321253
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
bis(4-methylsulfonylphenyl)diazene
CID 14045605
2,2-difluoro-4-(4-methylsulfonylphenyl)-3H-inden-1-one
CID 166387621
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
CID 116868966
5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
CID 53218127
1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881
2-(4-methylsulfonylphenyl)-3H-quinolin-4-one
CID 142639539
4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
CID 22148956
cyclohexene;1-methylsulfonyl-4-phenylbenzene
CID 68567759
dichloromethane;1-methyl-4-methylsulfonylbenzene
CID 175095378

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-3H-furan-2-one?
The IUPAC name of 4-(4-methylsulfonylphenyl)-3H-furan-2-one (CID 69417140) is 4-(4-methylsulfonylphenyl)-3H-furan-2-one.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-3H-furan-2-one?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-3H-furan-2-one is CS(=O)(=O)c1ccc(C2=COC(=O)C2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-3H-furan-2-one?
The InChIKey is AJCBUTSADHNMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-16(13,14)10-4-2-8(3-5-10)9-6-11(12)15-7-9/h2-5,7H,6H2,1H3.
What are the key properties of 4-(4-methylsulfonylphenyl)-3H-furan-2-one?
4-(4-methylsulfonylphenyl)-3H-furan-2-one has a molecular weight of 238.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-3H-furan-2-one is sourced from PubChem (CID 69417140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).