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

C15H18O5 — CID 101240167

IUPACethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)O[C@@]1(C)c1cccc(OC)c1
InChIInChI=1S/C15H18O5/c1-4-19-14(17)12-9-13(16)20-15(12,2)10-6-5-7-11(8-10)18-3/h5-8,12H,4,9H2,1-3H3/t12-,15+/m1/s1
InChIKeyJCBBQDWQKOPARC-DOMZBBRYSA-N
MW278.30 g/mol
LogP2.04
Rot. Bonds4

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

ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate (PubChem CID 101240167) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate
PubChem CID101240167
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Nameethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)O[C@@]1(C)c1cccc(OC)c1
InChIInChI=1S/C15H18O5/c1-4-19-14(17)12-9-13(16)20-15(12,2)10-6-5-7-11(8-10)18-3/h5-8,12H,4,9H2,1-3H3/t12-,15+/m1/s1
InChIKeyJCBBQDWQKOPARC-DOMZBBRYSA-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-(2-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate
CID 101240165
methyl (2S,3R)-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 102364670
ethyl 2-(3-methoxyphenyl)oxirane-2-carboxylate
CID 174756675
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187
diethyl (1R,2R,3S,4S)-4-hydroxy-2-(3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 7098752
ethyl 1-(3-bromophenyl)bicyclo[2.1.1]hexane-2-carboxylate
CID 167883473
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
ethyl 2-[1-(3-methoxyphenyl)-2-oxocyclohexyl]acetate
CID 12838404
diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate
CID 12719751
ethyl 2-[1-(3-methoxyphenyl)-2-oxocycloheptyl]acetate
CID 23345431
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate?
The IUPAC name of ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate (CID 101240167) is ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate?
The canonical SMILES for ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate is CCOC(=O)[C@H]1CC(=O)O[C@@]1(C)c1cccc(OC)c1.
What is the InChIKey of ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate?
The InChIKey is JCBBQDWQKOPARC-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H18O5/c1-4-19-14(17)12-9-13(16)20-15(12,2)10-6-5-7-11(8-10)18-3/h5-8,12H,4,9H2,1-3H3/t12-,15+/m1/s1.
What are the key properties of ethyl (2R,3S)-2-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate?
ethyl (2R,3S)-2-(3-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-(3-methoxyphenyl)-2-methyl-5-oxooxolane-3-carboxylate is sourced from PubChem (CID 101240167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).