3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one

C20H17FO2S — CID 139262387

IUPAC3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)c2cccs2)c2ccccc2F)cc1
InChIInChI=1S/C20H17FO2S/c1-23-15-10-8-14(9-11-15)17(16-5-2-3-6-18(16)21)13-19(22)20-7-4-12-24-20/h2-12,17H,13H2,1H3
InChIKeyYDHWARCEOOBLRT-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.30
Rot. Bonds6

About 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one

3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one (PubChem CID 139262387) has the molecular formula C20H17FO2S and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one
PubChem CID139262387
Molecular FormulaC20H17FO2S
Molecular Weight340.42 g/mol
Exact Mass340.09
IUPAC Name3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)c2cccs2)c2ccccc2F)cc1
InChIInChI=1S/C20H17FO2S/c1-23-15-10-8-14(9-11-15)17(16-5-2-3-6-18(16)21)13-19(22)20-7-4-12-24-20/h2-12,17H,13H2,1H3
InChIKeyYDHWARCEOOBLRT-UHFFFAOYSA-N
XLogP5.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one (CID 139262387) is 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one is COc1ccc(C(CC(=O)c2cccs2)c2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one?
The InChIKey is YDHWARCEOOBLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO2S/c1-23-15-10-8-14(9-11-15)17(16-5-2-3-6-18(16)21)13-19(22)20-7-4-12-24-20/h2-12,17H,13H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one?
3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one has a molecular weight of 340.42 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 139262387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).