ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate

C19H18O4S — CID 101262822

IUPACethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate
SMILESCCOC(=O)[C@H]1C(Sc2ccccc2)C(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C19H18O4S/c1-2-22-18(20)15-16(13-9-5-3-6-10-13)23-19(21)17(15)24-14-11-7-4-8-12-14/h3-12,15-17H,2H2,1H3/t15-,16+,17?/m1/s1
InChIKeyHOTDCXKMOJGOKL-GARXDOFDSA-N
MW342.42 g/mol
LogP3.62
Rot. Bonds5

About ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate

ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate (PubChem CID 101262822) has the molecular formula C19H18O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate
PubChem CID101262822
Molecular FormulaC19H18O4S
Molecular Weight342.42 g/mol
Exact Mass342.09
IUPAC Nameethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate
SMILESCCOC(=O)[C@H]1C(Sc2ccccc2)C(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C19H18O4S/c1-2-22-18(20)15-16(13-9-5-3-6-10-13)23-19(21)17(15)24-14-11-7-4-8-12-14/h3-12,15-17H,2H2,1H3/t15-,16+,17?/m1/s1
InChIKeyHOTDCXKMOJGOKL-GARXDOFDSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
ethyl (1S,2R,5R)-2-hydroxy-5-phenylsulfanylcyclopentane-1-carboxylate
CID 101038851
ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate
CID 77467095
ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
CID 13065907
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
ethyl (2S,4S)-4-phenylsulfanyloxolane-2-carboxylate
CID 101458998
ethyl (1R,2R,3R)-2-(4-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 90209349
ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 18474979
ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718704
trans-diethyl (1S,3S)-4,6-dioxo-2-phenylcyclohexane-1,3-dicarboxylate
CID 723569
ethyl 2-imino-5-phenyl-1,3-oxathiolane-4-carboxylate
CID 585137

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate?
The IUPAC name of ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate (CID 101262822) is ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate?
The canonical SMILES for ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate is CCOC(=O)[C@H]1C(Sc2ccccc2)C(=O)O[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate?
The InChIKey is HOTDCXKMOJGOKL-GARXDOFDSA-N. The full InChI is InChI=1S/C19H18O4S/c1-2-22-18(20)15-16(13-9-5-3-6-10-13)23-19(21)17(15)24-14-11-7-4-8-12-14/h3-12,15-17H,2H2,1H3/t15-,16+,17?/m1/s1.
What are the key properties of ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate?
ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate is sourced from PubChem (CID 101262822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).