(2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane

C15H21FO3 — CID 70593028

IUPAC(2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane
SMILESCCC[C@H]1OC[C@@H](OCc2ccccc2F)[C@@H](C)O1
InChIInChI=1S/C15H21FO3/c1-3-6-15-18-10-14(11(2)19-15)17-9-12-7-4-5-8-13(12)16/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3/t11-,14-,15+/m1/s1
InChIKeyYNGWZVPJOFHIFM-DFBGVHRSSA-N
MW268.33 g/mol
LogP3.27
Rot. Bonds5

About (2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane

(2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane (PubChem CID 70593028) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is (2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane.

Molecular Properties

Compound Name(2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane
PubChem CID70593028
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name(2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane
SMILESCCC[C@H]1OC[C@@H](OCc2ccccc2F)[C@@H](C)O1
InChIInChI=1S/C15H21FO3/c1-3-6-15-18-10-14(11(2)19-15)17-9-12-7-4-5-8-13(12)16/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3/t11-,14-,15+/m1/s1
InChIKeyYNGWZVPJOFHIFM-DFBGVHRSSA-N
XLogP3.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane?
The IUPAC name of (2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane (CID 70593028) is (2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane.
What is the SMILES notation for (2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane?
The canonical SMILES for (2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane is CCC[C@H]1OC[C@@H](OCc2ccccc2F)[C@@H](C)O1.
What is the InChIKey of (2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane?
The InChIKey is YNGWZVPJOFHIFM-DFBGVHRSSA-N. The full InChI is InChI=1S/C15H21FO3/c1-3-6-15-18-10-14(11(2)19-15)17-9-12-7-4-5-8-13(12)16/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3/t11-,14-,15+/m1/s1.
What are the key properties of (2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane?
(2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane has a molecular weight of 268.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane is sourced from PubChem (CID 70593028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).