(2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol

C15H19F3O4 — CID 11404406

IUPAC(2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol
SMILESCO[C@H]1C[C@H](O)[C@@H](OCc2ccc(C(F)(F)F)cc2)[C@H](C)O1
InChIInChI=1S/C15H19F3O4/c1-9-14(12(19)7-13(20-2)22-9)21-8-10-3-5-11(6-4-10)15(16,17)18/h3-6,9,12-14,19H,7-8H2,1-2H3/t9-,12-,13+,14-/m0/s1
InChIKeyRTVXAAYHFVMHML-WTDIUWLJSA-N
MW320.31 g/mol
LogP2.73
Rot. Bonds4

About (2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol

(2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol (PubChem CID 11404406) has the molecular formula C15H19F3O4 and a molecular weight of 320.31 g/mol. Its IUPAC name is (2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol
PubChem CID11404406
Molecular FormulaC15H19F3O4
Molecular Weight320.31 g/mol
Exact Mass320.12
IUPAC Name(2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol
SMILESCO[C@H]1C[C@H](O)[C@@H](OCc2ccc(C(F)(F)F)cc2)[C@H](C)O1
InChIInChI=1S/C15H19F3O4/c1-9-14(12(19)7-13(20-2)22-9)21-8-10-3-5-11(6-4-10)15(16,17)18/h3-6,9,12-14,19H,7-8H2,1-2H3/t9-,12-,13+,14-/m0/s1
InChIKeyRTVXAAYHFVMHML-WTDIUWLJSA-N
XLogP2.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol?
The IUPAC name of (2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol (CID 11404406) is (2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol.
What is the SMILES notation for (2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol?
The canonical SMILES for (2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol is CO[C@H]1C[C@H](O)[C@@H](OCc2ccc(C(F)(F)F)cc2)[C@H](C)O1.
What is the InChIKey of (2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol?
The InChIKey is RTVXAAYHFVMHML-WTDIUWLJSA-N. The full InChI is InChI=1S/C15H19F3O4/c1-9-14(12(19)7-13(20-2)22-9)21-8-10-3-5-11(6-4-10)15(16,17)18/h3-6,9,12-14,19H,7-8H2,1-2H3/t9-,12-,13+,14-/m0/s1.
What are the key properties of (2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol?
(2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol has a molecular weight of 320.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6R)-6-methoxy-2-methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]oxan-4-ol is sourced from PubChem (CID 11404406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).