(2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol

C14H20O5 — CID 102065732

IUPAC(2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol
SMILESCOCOC[C@H]1O[C@@H](OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C14H20O5/c1-16-10-17-9-13-12(15)7-14(19-13)18-8-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13-,14-/m1/s1
InChIKeyXFKSGALVKZKUKW-MGPQQGTHSA-N
MW268.31 g/mol
LogP1.30
Rot. Bonds7

About (2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol

(2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol (PubChem CID 102065732) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol
PubChem CID102065732
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name(2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol
SMILESCOCOC[C@H]1O[C@@H](OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C14H20O5/c1-16-10-17-9-13-12(15)7-14(19-13)18-8-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13-,14-/m1/s1
InChIKeyXFKSGALVKZKUKW-MGPQQGTHSA-N
XLogP1.30
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
[(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 10784182
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(2R,3R,4R,5R)-5-methoxy-4-(methoxymethoxy)-2-(phenylmethoxymethyl)oxolan-3-ol
CID 101366897
2-methyl-6-phenylmethoxyoxan-4-ol
CID 162749545
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
6-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-ol
CID 137482941
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol?
The IUPAC name of (2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol (CID 102065732) is (2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol is COCOC[C@H]1O[C@@H](OCc2ccccc2)C[C@H]1O.
What is the InChIKey of (2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol?
The InChIKey is XFKSGALVKZKUKW-MGPQQGTHSA-N. The full InChI is InChI=1S/C14H20O5/c1-16-10-17-9-13-12(15)7-14(19-13)18-8-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of (2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol?
(2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol has a molecular weight of 268.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol is sourced from PubChem (CID 102065732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).