4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol

C12H15FO4 — CID 142669372

IUPAC4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol
SMILESOC1C(COCc2ccccc2)OCC1(O)F
InChIInChI=1S/C12H15FO4/c13-12(15)8-17-10(11(12)14)7-16-6-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2
InChIKeyGSNHZILYJQOQDD-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.62
Rot. Bonds4

About 4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol

4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol (PubChem CID 142669372) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol
PubChem CID142669372
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol
SMILESOC1C(COCc2ccccc2)OCC1(O)F
InChIInChI=1S/C12H15FO4/c13-12(15)8-17-10(11(12)14)7-16-6-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2
InChIKeyGSNHZILYJQOQDD-UHFFFAOYSA-N
XLogP0.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol
CID 10966198
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(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
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 138518451
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol?
The IUPAC name of 4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol (CID 142669372) is 4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol?
The canonical SMILES for 4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol is OC1C(COCc2ccccc2)OCC1(O)F.
What is the InChIKey of 4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol?
The InChIKey is GSNHZILYJQOQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c13-12(15)8-17-10(11(12)14)7-16-6-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2.
What are the key properties of 4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol?
4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol has a molecular weight of 242.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 142669372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).