(2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane

C23H30O3 — CID 11256747

IUPAC(2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane
SMILESCO[C@@H]1C[C@H]([C@H](C)COCc2ccccc2)[C@H](CCc2ccccc2)O1
InChIInChI=1S/C23H30O3/c1-18(16-25-17-20-11-7-4-8-12-20)21-15-23(24-2)26-22(21)14-13-19-9-5-3-6-10-19/h3-12,18,21-23H,13-17H2,1-2H3/t18-,21-,22+,23+/m1/s1
InChIKeyMHVXSPWVFNTWOD-QQUTXWOLSA-N
MW354.49 g/mol
LogP4.85
Rot. Bonds9

About (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane

(2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane (PubChem CID 11256747) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane.

Molecular Properties

Compound Name(2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane
PubChem CID11256747
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name(2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane
SMILESCO[C@@H]1C[C@H]([C@H](C)COCc2ccccc2)[C@H](CCc2ccccc2)O1
InChIInChI=1S/C23H30O3/c1-18(16-25-17-20-11-7-4-8-12-20)21-15-23(24-2)26-22(21)14-13-19-9-5-3-6-10-19/h3-12,18,21-23H,13-17H2,1-2H3/t18-,21-,22+,23+/m1/s1
InChIKeyMHVXSPWVFNTWOD-QQUTXWOLSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane with MolForge

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Related Compounds

(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,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
(2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran
CID 11572647
(3R,5S,6S)-3,5-dimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]oxan-2-one
CID 10989510
[(2S,3S,6S)-3-methyl-6-[(2R)-1-phenylmethoxypropan-2-yl]oxan-2-yl]methanol
CID 11140431
[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
CID 68926499
2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol
CID 102517536
(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane
CID 71403895
(2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol
CID 11111788
(2R,3R)-2-ethenyl-5-methoxy-3-(phenylmethoxymethyl)oxolane
CID 10944791

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane?
The IUPAC name of (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane (CID 11256747) is (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane.
What is the SMILES notation for (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane?
The canonical SMILES for (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane is CO[C@@H]1C[C@H]([C@H](C)COCc2ccccc2)[C@H](CCc2ccccc2)O1.
What is the InChIKey of (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane?
The InChIKey is MHVXSPWVFNTWOD-QQUTXWOLSA-N. The full InChI is InChI=1S/C23H30O3/c1-18(16-25-17-20-11-7-4-8-12-20)21-15-23(24-2)26-22(21)14-13-19-9-5-3-6-10-19/h3-12,18,21-23H,13-17H2,1-2H3/t18-,21-,22+,23+/m1/s1.
What are the key properties of (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane?
(2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane has a molecular weight of 354.49 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-5-methoxy-2-(2-phenylethyl)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxolane is sourced from PubChem (CID 11256747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).