5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol

C20H21FO4S — CID 18788494

IUPAC5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol
SMILESCCC1(C)OC(O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H21FO4S/c1-4-20(2)18(14-7-11-16(12-8-14)26(3,23)24)17(19(22)25-20)13-5-9-15(21)10-6-13/h5-12,19,22H,4H2,1-3H3
InChIKeyZFASLKWYLHVQRK-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.66
Rot. Bonds4

About 5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol

5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol (PubChem CID 18788494) has the molecular formula C20H21FO4S and a molecular weight of 376.45 g/mol. Its IUPAC name is 5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol.

Molecular Properties

Compound Name5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol
PubChem CID18788494
Molecular FormulaC20H21FO4S
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol
SMILESCCC1(C)OC(O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H21FO4S/c1-4-20(2)18(14-7-11-16(12-8-14)26(3,23)24)17(19(22)25-20)13-5-9-15(21)10-6-13/h5-12,19,22H,4H2,1-3H3
InChIKeyZFASLKWYLHVQRK-UHFFFAOYSA-N
XLogP3.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol?
The IUPAC name of 5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol (CID 18788494) is 5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol.
What is the SMILES notation for 5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol?
The canonical SMILES for 5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol is CCC1(C)OC(O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol?
The InChIKey is ZFASLKWYLHVQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO4S/c1-4-20(2)18(14-7-11-16(12-8-14)26(3,23)24)17(19(22)25-20)13-5-9-15(21)10-6-13/h5-12,19,22H,4H2,1-3H3.
What are the key properties of 5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol?
5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol has a molecular weight of 376.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol is sourced from PubChem (CID 18788494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).