4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol

C19H22O5 — CID 14139647

IUPAC4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
SMILESOC1OC(COCc2ccccc2)C(OCc2ccccc2)C1O
InChIInChI=1S/C19H22O5/c20-17-18(23-12-15-9-5-2-6-10-15)16(24-19(17)21)13-22-11-14-7-3-1-4-8-14/h1-10,16-21H,11-13H2
InChIKeyLYHOPDIJCJJVNG-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.87
Rot. Bonds7

About 4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol

4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol (PubChem CID 14139647) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol.

Molecular Properties

Compound Name4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
PubChem CID14139647
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
SMILESOC1OC(COCc2ccccc2)C(OCc2ccccc2)C1O
InChIInChI=1S/C19H22O5/c20-17-18(23-12-15-9-5-2-6-10-15)16(24-19(17)21)13-22-11-14-7-3-1-4-8-14/h1-10,16-21H,11-13H2
InChIKeyLYHOPDIJCJJVNG-UHFFFAOYSA-N
XLogP1.87
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(2R,3S,4R,5S,6R)-2-hydroperoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 102260445
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 91212823
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol?
The IUPAC name of 4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol (CID 14139647) is 4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol.
What is the SMILES notation for 4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol?
The canonical SMILES for 4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol is OC1OC(COCc2ccccc2)C(OCc2ccccc2)C1O.
What is the InChIKey of 4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol?
The InChIKey is LYHOPDIJCJJVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c20-17-18(23-12-15-9-5-2-6-10-15)16(24-19(17)21)13-22-11-14-7-3-1-4-8-14/h1-10,16-21H,11-13H2.
What are the key properties of 4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol?
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol has a molecular weight of 330.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol is sourced from PubChem (CID 14139647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).