ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate

C13H16O4 — CID 10513963

IUPACethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@H]1O[C@@H](c2ccccc2)C[C@@H]1O
InChIInChI=1S/C13H16O4/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-7,10-12,14H,2,8H2,1H3/t10-,11+,12+/m0/s1
InChIKeyFRFGGLXMVIGXBC-QJPTWQEYSA-N
MW236.27 g/mol
LogP1.44
Rot. Bonds3

About ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate

ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate (PubChem CID 10513963) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
PubChem CID10513963
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Nameethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@H]1O[C@@H](c2ccccc2)C[C@@H]1O
InChIInChI=1S/C13H16O4/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-7,10-12,14H,2,8H2,1H3/t10-,11+,12+/m0/s1
InChIKeyFRFGGLXMVIGXBC-QJPTWQEYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (5R)-3-oxo-5-phenyloxolane-2-carboxylate
CID 15310447
ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
CID 101247662
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
ethyl 3-benzyloxirane-2-carboxylate
CID 526766
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 23561154
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
CID 102320644
ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate
CID 102486020
ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate
CID 10563681
ethyl (4S,5R)-5-(2,6-dichlorophenyl)-2-phenyl-1,3-dioxolane-4-carboxylate
CID 118151807
ethyl (2S,3R)-3-(2-methylphenyl)oxirane-2-carboxylate
CID 101190236

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate?
The IUPAC name of ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate (CID 10513963) is ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate is CCOC(=O)[C@@H]1O[C@@H](c2ccccc2)C[C@@H]1O.
What is the InChIKey of ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate?
The InChIKey is FRFGGLXMVIGXBC-QJPTWQEYSA-N. The full InChI is InChI=1S/C13H16O4/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-7,10-12,14H,2,8H2,1H3/t10-,11+,12+/m0/s1.
What are the key properties of ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate?
ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate is sourced from PubChem (CID 10513963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).