(2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane

C17H20O2 — CID 102122949

IUPAC(2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane
SMILESCC(C)[C@H]1CCO[C@@H](c2cccc3ccccc23)O1
InChIInChI=1S/C17H20O2/c1-12(2)16-10-11-18-17(19-16)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16-17H,10-11H2,1-2H3/t16-,17-/m1/s1
InChIKeyNWRXIACRIURJFX-IAGOWNOFSA-N
MW256.35 g/mol
LogP4.30
Rot. Bonds2

About (2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane

(2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane (PubChem CID 102122949) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane
PubChem CID102122949
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name(2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane
SMILESCC(C)[C@H]1CCO[C@@H](c2cccc3ccccc23)O1
InChIInChI=1S/C17H20O2/c1-12(2)16-10-11-18-17(19-16)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16-17H,10-11H2,1-2H3/t16-,17-/m1/s1
InChIKeyNWRXIACRIURJFX-IAGOWNOFSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane?
The IUPAC name of (2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane (CID 102122949) is (2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane.
What is the SMILES notation for (2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane?
The canonical SMILES for (2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane is CC(C)[C@H]1CCO[C@@H](c2cccc3ccccc23)O1.
What is the InChIKey of (2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane?
The InChIKey is NWRXIACRIURJFX-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(2)16-10-11-18-17(19-16)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16-17H,10-11H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane?
(2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane has a molecular weight of 256.35 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-naphthalen-1-yl-4-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 102122949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).