5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one

C20H21FO3S — CID 15384002

IUPAC5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one
SMILESCCC1CC(C(O)(c2ccc(F)cc2)c2ccc(SC)cc2)C(=O)O1
InChIInChI=1S/C20H21FO3S/c1-3-16-12-18(19(22)24-16)20(23,13-4-8-15(21)9-5-13)14-6-10-17(25-2)11-7-14/h4-11,16,18,23H,3,12H2,1-2H3
InChIKeyOAZYIUIFDYNDSI-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.13
Rot. Bonds5

About 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one

5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one (PubChem CID 15384002) has the molecular formula C20H21FO3S and a molecular weight of 360.45 g/mol. Its IUPAC name is 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one
PubChem CID15384002
Molecular FormulaC20H21FO3S
Molecular Weight360.45 g/mol
Exact Mass360.12
IUPAC Name5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one
SMILESCCC1CC(C(O)(c2ccc(F)cc2)c2ccc(SC)cc2)C(=O)O1
InChIInChI=1S/C20H21FO3S/c1-3-16-12-18(19(22)24-16)20(23,13-4-8-15(21)9-5-13)14-6-10-17(25-2)11-7-14/h4-11,16,18,23H,3,12H2,1-2H3
InChIKeyOAZYIUIFDYNDSI-UHFFFAOYSA-N
XLogP4.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one?
The IUPAC name of 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one (CID 15384002) is 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one.
What is the SMILES notation for 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one?
The canonical SMILES for 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one is CCC1CC(C(O)(c2ccc(F)cc2)c2ccc(SC)cc2)C(=O)O1.
What is the InChIKey of 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one?
The InChIKey is OAZYIUIFDYNDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO3S/c1-3-16-12-18(19(22)24-16)20(23,13-4-8-15(21)9-5-13)14-6-10-17(25-2)11-7-14/h4-11,16,18,23H,3,12H2,1-2H3.
What are the key properties of 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one?
5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one has a molecular weight of 360.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(4-fluorophenyl)-hydroxy-(4-methylsulfanylphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 15384002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).