5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran

C17H15FOS — CID 123228869

IUPAC5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran
SMILESCCc1ccc2oc(C)c(Sc3cccc(F)c3)c2c1
InChIInChI=1S/C17H15FOS/c1-3-12-7-8-16-15(9-12)17(11(2)19-16)20-14-6-4-5-13(18)10-14/h4-10H,3H2,1-2H3
InChIKeyXUVZVAQFQXVQLV-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.59
Rot. Bonds3

About 5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran

5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran (PubChem CID 123228869) has the molecular formula C17H15FOS and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran.

Molecular Properties

Compound Name5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran
PubChem CID123228869
Molecular FormulaC17H15FOS
Molecular Weight286.37 g/mol
Exact Mass286.08
IUPAC Name5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran
SMILESCCc1ccc2oc(C)c(Sc3cccc(F)c3)c2c1
InChIInChI=1S/C17H15FOS/c1-3-12-7-8-16-15(9-12)17(11(2)19-16)20-14-6-4-5-13(18)10-14/h4-10H,3H2,1-2H3
InChIKeyXUVZVAQFQXVQLV-UHFFFAOYSA-N
XLogP5.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran?
The IUPAC name of 5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran (CID 123228869) is 5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran.
What is the SMILES notation for 5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran?
The canonical SMILES for 5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran is CCc1ccc2oc(C)c(Sc3cccc(F)c3)c2c1.
What is the InChIKey of 5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran?
The InChIKey is XUVZVAQFQXVQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FOS/c1-3-12-7-8-16-15(9-12)17(11(2)19-16)20-14-6-4-5-13(18)10-14/h4-10H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran?
5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran has a molecular weight of 286.37 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-fluorophenyl)sulfanyl-2-methyl-1-benzofuran is sourced from PubChem (CID 123228869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).