(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol

C12H15FO4 — CID 101183405

IUPAC(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC(c2ccc(F)cc2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H15FO4/c13-8-3-1-7(2-4-8)10-5-9(15)12(16)11(6-14)17-10/h1-4,9-12,14-16H,5-6H2/t9-,10?,11-,12+/m1/s1
InChIKeyBTYGBEBSJWUDRN-WAAKLRNESA-N
MW242.25 g/mol
LogP0.37
Rot. Bonds2

About (2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 101183405) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is (2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID101183405
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC(c2ccc(F)cc2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H15FO4/c13-8-3-1-7(2-4-8)10-5-9(15)12(16)11(6-14)17-10/h1-4,9-12,14-16H,5-6H2/t9-,10?,11-,12+/m1/s1
InChIKeyBTYGBEBSJWUDRN-WAAKLRNESA-N
XLogP0.37
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol (CID 101183405) is (2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1OC(c2ccc(F)cc2)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is BTYGBEBSJWUDRN-WAAKLRNESA-N. The full InChI is InChI=1S/C12H15FO4/c13-8-3-1-7(2-4-8)10-5-9(15)12(16)11(6-14)17-10/h1-4,9-12,14-16H,5-6H2/t9-,10?,11-,12+/m1/s1.
What are the key properties of (2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 242.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 101183405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).