3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one

C15H15FO3S — CID 2999635

IUPAC3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one
SMILESO=C(CC(SCCO)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H15FO3S/c16-12-5-3-11(4-6-12)15(20-9-7-17)10-13(18)14-2-1-8-19-14/h1-6,8,15,17H,7,9-10H2
InChIKeyRPRSHSPHMNNJAC-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.46
Rot. Bonds7

About 3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one

3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one (PubChem CID 2999635) has the molecular formula C15H15FO3S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one
PubChem CID2999635
Molecular FormulaC15H15FO3S
Molecular Weight294.35 g/mol
Exact Mass294.07
IUPAC Name3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one
SMILESO=C(CC(SCCO)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H15FO3S/c16-12-5-3-11(4-6-12)15(20-9-7-17)10-13(18)14-2-1-8-19-14/h1-6,8,15,17H,7,9-10H2
InChIKeyRPRSHSPHMNNJAC-UHFFFAOYSA-N
XLogP3.46
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one (CID 2999635) is 3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one is O=C(CC(SCCO)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one?
The InChIKey is RPRSHSPHMNNJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3S/c16-12-5-3-11(4-6-12)15(20-9-7-17)10-13(18)14-2-1-8-19-14/h1-6,8,15,17H,7,9-10H2.
What are the key properties of 3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one?
3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one has a molecular weight of 294.35 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one is sourced from PubChem (CID 2999635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).