(4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one

C18H16O3S — CID 10710249

IUPAC(4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one
SMILESO=C1C[C@@H](Sc2ccccc2)[C@H](CC(=O)c2ccccc2)O1
InChIInChI=1S/C18H16O3S/c19-15(13-7-3-1-4-8-13)11-16-17(12-18(20)21-16)22-14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/t16-,17+/m0/s1
InChIKeyOHUTZWFHXSQASI-DLBZAZTESA-N
MW312.39 g/mol
LogP3.74
Rot. Bonds5

About (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one

(4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one (PubChem CID 10710249) has the molecular formula C18H16O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one
PubChem CID10710249
Molecular FormulaC18H16O3S
Molecular Weight312.39 g/mol
Exact Mass312.08
IUPAC Name(4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one
SMILESO=C1C[C@@H](Sc2ccccc2)[C@H](CC(=O)c2ccccc2)O1
InChIInChI=1S/C18H16O3S/c19-15(13-7-3-1-4-8-13)11-16-17(12-18(20)21-16)22-14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/t16-,17+/m0/s1
InChIKeyOHUTZWFHXSQASI-DLBZAZTESA-N
XLogP3.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-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

Related Compounds

Ethyl 3-oxo-5-(thiophen-2-yl)-1,2,3,6-tetrahydro-[1,1'-biphenyl]-2-carboxylate
CID 4341559
3-Oxo-3-phenyl-2-phenylsulfanyl-propionic acid ethyl ester
CID 14728536
Tetramic acid, 76
CID 91899484
Ethyl 2-benzoyl-4-(2-thienyl)-2,3-butadienoate
CID 370285
Ethyl 3-(2-(methylthio)phenyl)-3-oxopropanoate
CID 292512
tert-butyl (2S)-2-benzylsulfanyl-2-fluoro-3-oxo-3-phenylpropanoate
CID 101795352
Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate
CID 257580
(2-Oxo-2-phenyl-1-phenylsulfanylethyl) acetate
CID 13068881
Zsvkfjnyehherx-uhfffaoysa-
CID 14176857
Ethyl 1,3-dioxo-1-phenyl-1-benzothiophene-2-carboxylate
CID 14176858
Ethyl 2-(1,3-dithian-2-yl)-3-oxo-3-phenylpropanoate
CID 102093399
Methyl 2-benzoyl-2-benzylsulfanylthiolane-3-carboxylate
CID 134929972

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one?
The IUPAC name of (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one (CID 10710249) is (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one.
What is the SMILES notation for (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one?
The canonical SMILES for (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one is O=C1C[C@@H](Sc2ccccc2)[C@H](CC(=O)c2ccccc2)O1.
What is the InChIKey of (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one?
The InChIKey is OHUTZWFHXSQASI-DLBZAZTESA-N. The full InChI is InChI=1S/C18H16O3S/c19-15(13-7-3-1-4-8-13)11-16-17(12-18(20)21-16)22-14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/t16-,17+/m0/s1.
What are the key properties of (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one?
(4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one has a molecular weight of 312.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-phenacyl-4-phenylsulfanyloxolan-2-one is sourced from PubChem (CID 10710249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).