3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan

C20H21FO4S — CID 18788481

IUPAC3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan
SMILESCOC1OC(C)(C)C(c2ccc(S(C)(=O)=O)cc2)=C1c1ccc(F)cc1
InChIInChI=1S/C20H21FO4S/c1-20(2)18(14-7-11-16(12-8-14)26(4,22)23)17(19(24-3)25-20)13-5-9-15(21)10-6-13/h5-12,19H,1-4H3
InChIKeyQAARGQLMLQXZQK-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.92
Rot. Bonds4

About 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan

3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan (PubChem CID 18788481) has the molecular formula C20H21FO4S and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan
PubChem CID18788481
Molecular FormulaC20H21FO4S
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan
SMILESCOC1OC(C)(C)C(c2ccc(S(C)(=O)=O)cc2)=C1c1ccc(F)cc1
InChIInChI=1S/C20H21FO4S/c1-20(2)18(14-7-11-16(12-8-14)26(4,22)23)17(19(24-3)25-20)13-5-9-15(21)10-6-13/h5-12,19H,1-4H3
InChIKeyQAARGQLMLQXZQK-UHFFFAOYSA-N
XLogP3.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan 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 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan?
The IUPAC name of 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan (CID 18788481) is 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan?
The canonical SMILES for 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan is COC1OC(C)(C)C(c2ccc(S(C)(=O)=O)cc2)=C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan?
The InChIKey is QAARGQLMLQXZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO4S/c1-20(2)18(14-7-11-16(12-8-14)26(4,22)23)17(19(24-3)25-20)13-5-9-15(21)10-6-13/h5-12,19H,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan?
3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan has a molecular weight of 376.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methoxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan is sourced from PubChem (CID 18788481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).