4-methylsulfonyl-3-phenyl-3H-furan-2-one

C11H10O4S — CID 68819114

IUPAC4-methylsulfonyl-3-phenyl-3H-furan-2-one
SMILESCS(=O)(=O)C1=COC(=O)C1c1ccccc1
InChIInChI=1S/C11H10O4S/c1-16(13,14)9-7-15-11(12)10(9)8-5-3-2-4-6-8/h2-7,10H,1H3
InChIKeyBVXIPVGMZNDIPW-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.21
Rot. Bonds2

About 4-methylsulfonyl-3-phenyl-3H-furan-2-one

4-methylsulfonyl-3-phenyl-3H-furan-2-one (PubChem CID 68819114) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-methylsulfonyl-3-phenyl-3H-furan-2-one.

Molecular Properties

Compound Name4-methylsulfonyl-3-phenyl-3H-furan-2-one
PubChem CID68819114
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name4-methylsulfonyl-3-phenyl-3H-furan-2-one
SMILESCS(=O)(=O)C1=COC(=O)C1c1ccccc1
InChIInChI=1S/C11H10O4S/c1-16(13,14)9-7-15-11(12)10(9)8-5-3-2-4-6-8/h2-7,10H,1H3
InChIKeyBVXIPVGMZNDIPW-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-3-phenyl-3H-furan-2-one?
The IUPAC name of 4-methylsulfonyl-3-phenyl-3H-furan-2-one (CID 68819114) is 4-methylsulfonyl-3-phenyl-3H-furan-2-one.
What is the SMILES notation for 4-methylsulfonyl-3-phenyl-3H-furan-2-one?
The canonical SMILES for 4-methylsulfonyl-3-phenyl-3H-furan-2-one is CS(=O)(=O)C1=COC(=O)C1c1ccccc1.
What is the InChIKey of 4-methylsulfonyl-3-phenyl-3H-furan-2-one?
The InChIKey is BVXIPVGMZNDIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-16(13,14)9-7-15-11(12)10(9)8-5-3-2-4-6-8/h2-7,10H,1H3.
What are the key properties of 4-methylsulfonyl-3-phenyl-3H-furan-2-one?
4-methylsulfonyl-3-phenyl-3H-furan-2-one has a molecular weight of 238.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-3-phenyl-3H-furan-2-one is sourced from PubChem (CID 68819114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).