[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol

C13H18O4 — CID 70448323

IUPAC[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
SMILESCOC1C[C@H](OCc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C13H18O4/c1-15-13-7-11(12(8-14)17-13)16-9-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13?/m0/s1
InChIKeyKSWAOVQCBZRJED-LAGVYOHYSA-N
MW238.28 g/mol
LogP1.33
Rot. Bonds5

About [(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol

[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol (PubChem CID 70448323) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is [(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
PubChem CID70448323
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
SMILESCOC1C[C@H](OCc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C13H18O4/c1-15-13-7-11(12(8-14)17-13)16-9-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13?/m0/s1
InChIKeyKSWAOVQCBZRJED-LAGVYOHYSA-N
XLogP1.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate
CID 102329507
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 161169848
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2R,3R,4S,6S)-3-acetyloxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 70364158
[(2S,3R,4S)-2-(iodomethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl] benzoate
CID 67157471
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol
CID 102276288
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol?
The IUPAC name of [(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol (CID 70448323) is [(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol is COC1C[C@H](OCc2ccccc2)[C@@H](CO)O1.
What is the InChIKey of [(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol?
The InChIKey is KSWAOVQCBZRJED-LAGVYOHYSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-13-7-11(12(8-14)17-13)16-9-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13?/m0/s1.
What are the key properties of [(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol?
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol has a molecular weight of 238.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol is sourced from PubChem (CID 70448323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).