3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran

C16H13FO2S — CID 57417547

IUPAC3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran
SMILESCc1ccc2oc(C)c(S(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H13FO2S/c1-10-3-8-15-14(9-10)16(11(2)19-15)20(18)13-6-4-12(17)5-7-13/h3-9H,1-2H3
InChIKeyCOFXAEIYNICRQL-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.36
Rot. Bonds2

About 3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran

3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran (PubChem CID 57417547) has the molecular formula C16H13FO2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran
PubChem CID57417547
Molecular FormulaC16H13FO2S
Molecular Weight288.34 g/mol
Exact Mass288.06
IUPAC Name3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran
SMILESCc1ccc2oc(C)c(S(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H13FO2S/c1-10-3-8-15-14(9-10)16(11(2)19-15)20(18)13-6-4-12(17)5-7-13/h3-9H,1-2H3
InChIKeyCOFXAEIYNICRQL-UHFFFAOYSA-N
XLogP4.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-2-phenyl-1-benzofuran
CID 1211950
2-Methyl-5-{3-[3-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole
CID 45482777
(R)-2-Acetylsulfanyl-3-dibenzofuran-2-yl-propionic acid
CID 9839836
(R)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)phenyl)benzofuran
CID 45482696
(S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)phenyl)benzofuran
CID 45482700
(R)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2-yl)benzofuran
CID 45482717
(S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2-yl)benzofuran
CID 45482750
5-(5-Methylfuran-2-yl)-3-(4-methylsulfinylphenyl)-1-benzofuran
CID 45482759
3-(4-Ethylsulfinylphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran
CID 45482765
[4-(1-Benzofuran-5-yl)phenyl] 4-fluorobenzenesulfonate
CID 155519083
2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
CID 155536520
[4-(1-Benzofuran-5-yl)phenyl] 4-methylbenzenesulfonate
CID 155540983

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran?
The IUPAC name of 3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran (CID 57417547) is 3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran?
The canonical SMILES for 3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran is Cc1ccc2oc(C)c(S(=O)c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran?
The InChIKey is COFXAEIYNICRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2S/c1-10-3-8-15-14(9-10)16(11(2)19-15)20(18)13-6-4-12(17)5-7-13/h3-9H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran?
3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran has a molecular weight of 288.34 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran is sourced from PubChem (CID 57417547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).