4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one

C17H16O5S — CID 11739063

IUPAC4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
SMILESCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccco2)C1=O
InChIInChI=1S/C17H16O5S/c1-17(2)16(18)14(13-5-4-10-21-13)15(22-17)11-6-8-12(9-7-11)23(3,19)20/h4-10H,1-3H3
InChIKeyQOWCEUBFAMPYFT-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.93
Rot. Bonds3

About 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one

4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one (PubChem CID 11739063) has the molecular formula C17H16O5S and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one.

Molecular Properties

Compound Name4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
PubChem CID11739063
Molecular FormulaC17H16O5S
Molecular Weight332.38 g/mol
Exact Mass332.07
IUPAC Name4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
SMILESCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccco2)C1=O
InChIInChI=1S/C17H16O5S/c1-17(2)16(18)14(13-5-4-10-21-13)15(22-17)11-6-8-12(9-7-11)23(3,19)20/h4-10H,1-3H3
InChIKeyQOWCEUBFAMPYFT-UHFFFAOYSA-N
XLogP2.93
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one?
The IUPAC name of 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one (CID 11739063) is 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one.
What is the SMILES notation for 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one?
The canonical SMILES for 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one is CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccco2)C1=O.
What is the InChIKey of 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one?
The InChIKey is QOWCEUBFAMPYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5S/c1-17(2)16(18)14(13-5-4-10-21-13)15(22-17)11-6-8-12(9-7-11)23(3,19)20/h4-10H,1-3H3.
What are the key properties of 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one?
4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one has a molecular weight of 332.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one is sourced from PubChem (CID 11739063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).