[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate

C21H24O5 — CID 68926499

IUPAC[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
SMILESCOC1C[C@H](COC(=O)c2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C21H24O5/c1-23-20-12-18(14-25-21(22)17-10-6-3-7-11-17)19(26-20)15-24-13-16-8-4-2-5-9-16/h2-11,18-20H,12-15H2,1H3/t18-,19-,20?/m1/s1
InChIKeyHMRVPJPDGREMLL-LEAGNCFPSA-N
MW356.42 g/mol
LogP3.44
Rot. Bonds8

About [(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate

[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate (PubChem CID 68926499) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is [(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate.

Molecular Properties

Compound Name[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
PubChem CID68926499
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
SMILESCOC1C[C@H](COC(=O)c2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C21H24O5/c1-23-20-12-18(14-25-21(22)17-10-6-3-7-11-17)19(26-20)15-24-13-16-8-4-2-5-9-16/h2-11,18-20H,12-15H2,1H3/t18-,19-,20?/m1/s1
InChIKeyHMRVPJPDGREMLL-LEAGNCFPSA-N
XLogP3.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3R)-2-[(4-bromophenyl)methoxymethyl]-5-methoxyoxolan-3-yl]methyl benzoate
CID 14840714
[(2S,3R)-2-(butoxymethyl)-5-methoxyoxolan-3-yl]methyl benzoate
CID 71020807
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 91316153
[(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
CID 175638975
[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101201663
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
[(2R,3S)-2-(butoxymethyl)-5-hydroxyoxolan-3-yl]methyl benzoate
CID 171770465
[(2S,3R,4S)-2-(iodomethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl] benzoate
CID 67157471
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
CID 10339119
[(2R,3S,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
CID 71313933

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate?
The IUPAC name of [(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate (CID 68926499) is [(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate.
What is the SMILES notation for [(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate?
The canonical SMILES for [(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate is COC1C[C@H](COC(=O)c2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of [(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate?
The InChIKey is HMRVPJPDGREMLL-LEAGNCFPSA-N. The full InChI is InChI=1S/C21H24O5/c1-23-20-12-18(14-25-21(22)17-10-6-3-7-11-17)19(26-20)15-24-13-16-8-4-2-5-9-16/h2-11,18-20H,12-15H2,1H3/t18-,19-,20?/m1/s1.
What are the key properties of [(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate?
[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate has a molecular weight of 356.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate is sourced from PubChem (CID 68926499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).