ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate

C15H18O5 — CID 101240165

IUPACethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)O[C@@]1(C)c1ccccc1OC
InChIInChI=1S/C15H18O5/c1-4-19-14(17)11-9-13(16)20-15(11,2)10-7-5-6-8-12(10)18-3/h5-8,11H,4,9H2,1-3H3/t11-,15+/m1/s1
InChIKeyPPTHMIDCDMZMLX-ABAIWWIYSA-N
MW278.30 g/mol
LogP2.04
Rot. Bonds4

About ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate

ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate (PubChem CID 101240165) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate
PubChem CID101240165
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Nameethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)O[C@@]1(C)c1ccccc1OC
InChIInChI=1S/C15H18O5/c1-4-19-14(17)11-9-13(16)20-15(11,2)10-7-5-6-8-12(10)18-3/h5-8,11H,4,9H2,1-3H3/t11-,15+/m1/s1
InChIKeyPPTHMIDCDMZMLX-ABAIWWIYSA-N
XLogP2.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate
CID 101240167
methyl (2S,3R)-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 102364670
ethyl 1-(2-methoxyphenyl)-2-oxocyclopentane-1-carboxylate
CID 13040813
ethyl (2S,3S)-3-fluoro-3-hydroxy-1,2-dihydroindene-2-carboxylate
CID 57044445
ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate
CID 70454520
ethyl 4,6-bis(2-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 91653457
ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate
CID 102304288
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
diethyl (6R,8S)-4-methoxy-7-oxo-5,6,8,9-tetrahydrobenzo[7]annulene-6,8-dicarboxylate
CID 124566665
ethyl (1S,6R)-6-(4-fluorophenyl)-4-(2-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 99801496

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate?
The IUPAC name of ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate (CID 101240165) is ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate?
The canonical SMILES for ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate is CCOC(=O)[C@H]1CC(=O)O[C@@]1(C)c1ccccc1OC.
What is the InChIKey of ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate?
The InChIKey is PPTHMIDCDMZMLX-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H18O5/c1-4-19-14(17)11-9-13(16)20-15(11,2)10-7-5-6-8-12(10)18-3/h5-8,11H,4,9H2,1-3H3/t11-,15+/m1/s1.
What are the key properties of ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate?
ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate has a molecular weight of 278.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate is sourced from PubChem (CID 101240165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).