(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol

C12H15FO3 — CID 10966198

IUPAC(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol
SMILESOC1C[C@](F)(COCc2ccccc2)CO1
InChIInChI=1S/C12H15FO3/c13-12(6-11(14)16-9-12)8-15-7-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11?,12-/m0/s1
InChIKeyOLRJIULAUCRGPX-KIYNQFGBSA-N
MW226.25 g/mol
LogP1.65
Rot. Bonds4

About (4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol

(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol (PubChem CID 10966198) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is (4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol.

Molecular Properties

Compound Name(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol
PubChem CID10966198
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol
SMILESOC1C[C@](F)(COCc2ccccc2)CO1
InChIInChI=1S/C12H15FO3/c13-12(6-11(14)16-9-12)8-15-7-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11?,12-/m0/s1
InChIKeyOLRJIULAUCRGPX-KIYNQFGBSA-N
XLogP1.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619
4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol
CID 142669372
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
3-azido-1-(phenylmethoxymethyl)-6-oxabicyclo[3.2.0]heptan-4-ol
CID 134867249
5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane
CID 18977333
5-(phenylmethoxymethyl)-1,4-oxathian-2-ol
CID 19350843
(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
CID 11048887
(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 140986765
4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol
CID 21015291

Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol?
The IUPAC name of (4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol (CID 10966198) is (4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol.
What is the SMILES notation for (4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol?
The canonical SMILES for (4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol is OC1C[C@](F)(COCc2ccccc2)CO1.
What is the InChIKey of (4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol?
The InChIKey is OLRJIULAUCRGPX-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H15FO3/c13-12(6-11(14)16-9-12)8-15-7-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11?,12-/m0/s1.
What are the key properties of (4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol?
(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol has a molecular weight of 226.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol is sourced from PubChem (CID 10966198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).