1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol

C21H26O6 — CID 563648

IUPAC1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
SMILESCOC1OC(C(O)CO)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(27-21)17(23)12-22)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3
InChIKeyIEUQWJFYEPQBON-UHFFFAOYSA-N
MW374.43 g/mol
LogP1.88
Rot. Bonds9

About 1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol

1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol (PubChem CID 563648) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
PubChem CID563648
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
SMILESCOC1OC(C(O)CO)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(27-21)17(23)12-22)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3
InChIKeyIEUQWJFYEPQBON-UHFFFAOYSA-N
XLogP1.88
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 123779801
(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 57381344
1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]prop-2-yn-1-ol
CID 132597133
N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
CID 90113505
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
CID 134423079
(1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol
CID 23242968
1-[(2S,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethane-1,2-diol
CID 25170284
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522
2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol (CID 563648) is 1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol is COC1OC(C(O)CO)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol?
The InChIKey is IEUQWJFYEPQBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(27-21)17(23)12-22)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3.
What are the key properties of 1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol?
1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol has a molecular weight of 374.43 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 563648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).