[(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate

C15H20O6 — CID 70223432

IUPAC[(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate
SMILESCOCCO[C@H]1O[C@H](COC(=O)c2ccccc2)C[C@H]1O
InChIInChI=1S/C15H20O6/c1-18-7-8-19-15-13(16)9-12(21-15)10-20-14(17)11-5-3-2-4-6-11/h2-6,12-13,15-16H,7-10H2,1H3/t12-,13+,15-/m0/s1
InChIKeyCRCRHHVMCSZYNV-GUTXKFCHSA-N
MW296.32 g/mol
LogP0.98
Rot. Bonds7

About [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate

[(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate (PubChem CID 70223432) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate
PubChem CID70223432
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name[(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate
SMILESCOCCO[C@H]1O[C@H](COC(=O)c2ccccc2)C[C@H]1O
InChIInChI=1S/C15H20O6/c1-18-7-8-19-15-13(16)9-12(21-15)10-20-14(17)11-5-3-2-4-6-11/h2-6,12-13,15-16H,7-10H2,1H3/t12-,13+,15-/m0/s1
InChIKeyCRCRHHVMCSZYNV-GUTXKFCHSA-N
XLogP0.98
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate 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

[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate
CID 18664227
[(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate
CID 67760613
[(1R,2S,4S,6R)-2-methoxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]methyl benzoate
CID 11242511
[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101010370
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 101172024
[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
CID 10339119
[(2S,4S,5R,6R)-4,5-dibenzoyloxy-6-bromooxyoxan-2-yl]methyl benzoate
CID 67631238
[(2R,4S,6S)-4-chloro-6-phenyloxan-2-yl]methyl benzoate
CID 102148599
azane;2-methoxyethyl benzoate
CID 174560204
[(2R)-5-hydroxyoxolan-2-yl]methyl benzoate;propane-2,2-diol
CID 145051457
[(2S,4R,5R)-4-benzoyloxy-5-bromooxolan-2-yl]methyl benzoate
CID 70401992

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate?
The IUPAC name of [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate (CID 70223432) is [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate is COCCO[C@H]1O[C@H](COC(=O)c2ccccc2)C[C@H]1O.
What is the InChIKey of [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate?
The InChIKey is CRCRHHVMCSZYNV-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H20O6/c1-18-7-8-19-15-13(16)9-12(21-15)10-20-14(17)11-5-3-2-4-6-11/h2-6,12-13,15-16H,7-10H2,1H3/t12-,13+,15-/m0/s1.
What are the key properties of [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate?
[(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate has a molecular weight of 296.32 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate is sourced from PubChem (CID 70223432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).