1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone

C19H15FO2S — CID 23372664

IUPAC1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2cc(C(C)=O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H15FO2S/c1-12(21)18-11-17(13-5-9-16(22-2)10-6-13)19(23-18)14-3-7-15(20)8-4-14/h3-11H,1-2H3
InChIKeyPISPGOMSHGVJIM-UHFFFAOYSA-N
MW326.39 g/mol
LogP5.43
Rot. Bonds4

About 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone

1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone (PubChem CID 23372664) has the molecular formula C19H15FO2S and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone
PubChem CID23372664
Molecular FormulaC19H15FO2S
Molecular Weight326.39 g/mol
Exact Mass326.08
IUPAC Name1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2cc(C(C)=O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H15FO2S/c1-12(21)18-11-17(13-5-9-16(22-2)10-6-13)19(23-18)14-3-7-15(20)8-4-14/h3-11H,1-2H3
InChIKeyPISPGOMSHGVJIM-UHFFFAOYSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone (CID 23372664) is 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone is COc1ccc(-c2cc(C(C)=O)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone?
The InChIKey is PISPGOMSHGVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO2S/c1-12(21)18-11-17(13-5-9-16(22-2)10-6-13)19(23-18)14-3-7-15(20)8-4-14/h3-11H,1-2H3.
What are the key properties of 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone?
1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone has a molecular weight of 326.39 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 23372664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).