(2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol

C11H12F2O3 — CID 502234

IUPAC(2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2ccc(F)cc2F)C[C@@H]1O
InChIInChI=1S/C11H12F2O3/c12-6-1-2-7(8(13)3-6)10-4-9(15)11(5-14)16-10/h1-3,9-11,14-15H,4-5H2/t9-,10+,11+/m0/s1
InChIKeyVQLSSZHKMQNLJF-HBNTYKKESA-N
MW230.21 g/mol
LogP1.15
Rot. Bonds2

About (2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 502234) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID502234
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name(2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2ccc(F)cc2F)C[C@@H]1O
InChIInChI=1S/C11H12F2O3/c12-6-1-2-7(8(13)3-6)10-4-9(15)11(5-14)16-10/h1-3,9-11,14-15H,4-5H2/t9-,10+,11+/m0/s1
InChIKeyVQLSSZHKMQNLJF-HBNTYKKESA-N
XLogP1.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15572
(3-Phenyloxiranyl)methanol
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CID 20371
3-(Benzyloxy)-1,2-propanediol
CID 98072
1-(Benzyloxy)propan-2-ol
CID 295955
D-Ribitol, 1,4-anhydro-1-C-phenyl-, (1S)-
CID 5271317
3-(Benzyloxy)propane-1,2-diol
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Benzeneethanol, beta-methoxy-
CID 102910
2-(Phenylmethoxy)-1,3-propanediol
CID 203567
(R)-(-)-2-Methoxy-2-phenylethanol
CID 6950345
(2S,3S)-3-Phenyl-2-oxiranemethanol
CID 149229
(2S,3S)-(-)-2,3-Epoxy-2-methyl-3-phenyl-1-propanol
CID 176040

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol (CID 502234) is (2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@@H](c2ccc(F)cc2F)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is VQLSSZHKMQNLJF-HBNTYKKESA-N. The full InChI is InChI=1S/C11H12F2O3/c12-6-1-2-7(8(13)3-6)10-4-9(15)11(5-14)16-10/h1-3,9-11,14-15H,4-5H2/t9-,10+,11+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 230.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 502234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).