5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran

C20H19FO2S — CID 57498393

IUPAC5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
SMILESCS(=O)c1c(-c2ccc(F)cc2)oc2ccc(C3CCCC3)cc12
InChIInChI=1S/C20H19FO2S/c1-24(22)20-17-12-15(13-4-2-3-5-13)8-11-18(17)23-19(20)14-6-9-16(21)10-7-14/h6-13H,2-5H2,1H3
InChIKeyPCUULBNWTPMIAX-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.63
Rot. Bonds3

About 5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran

5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran (PubChem CID 57498393) has the molecular formula C20H19FO2S and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran.

Molecular Properties

Compound Name5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
PubChem CID57498393
Molecular FormulaC20H19FO2S
Molecular Weight342.44 g/mol
Exact Mass342.11
IUPAC Name5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
SMILESCS(=O)c1c(-c2ccc(F)cc2)oc2ccc(C3CCCC3)cc12
InChIInChI=1S/C20H19FO2S/c1-24(22)20-17-12-15(13-4-2-3-5-13)8-11-18(17)23-19(20)14-6-9-16(21)10-7-14/h6-13H,2-5H2,1H3
InChIKeyPCUULBNWTPMIAX-UHFFFAOYSA-N
XLogP5.63
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
The IUPAC name of 5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran (CID 57498393) is 5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran.
What is the SMILES notation for 5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
The canonical SMILES for 5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran is CS(=O)c1c(-c2ccc(F)cc2)oc2ccc(C3CCCC3)cc12.
What is the InChIKey of 5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
The InChIKey is PCUULBNWTPMIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO2S/c1-24(22)20-17-12-15(13-4-2-3-5-13)8-11-18(17)23-19(20)14-6-9-16(21)10-7-14/h6-13H,2-5H2,1H3.
What are the key properties of 5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran has a molecular weight of 342.44 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran is sourced from PubChem (CID 57498393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).