(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione

C16H12O4 — CID 101432935

IUPAC(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
SMILESO=C1O[C@H](c2ccccc2)C(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C16H12O4/c17-15-13(11-7-3-1-4-8-11)19-16(18)14(20-15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1
InChIKeyNJEHRDMPAXVGIL-ZIAGYGMSSA-N
MW268.27 g/mol
LogP2.57
Rot. Bonds2

About (3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione

(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione (PubChem CID 101432935) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione.

Molecular Properties

Compound Name(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
PubChem CID101432935
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
SMILESO=C1O[C@H](c2ccccc2)C(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C16H12O4/c17-15-13(11-7-3-1-4-8-11)19-16(18)14(20-15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1
InChIKeyNJEHRDMPAXVGIL-ZIAGYGMSSA-N
XLogP2.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione?
The IUPAC name of (3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione (CID 101432935) is (3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione.
What is the SMILES notation for (3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione?
The canonical SMILES for (3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione is O=C1O[C@H](c2ccccc2)C(=O)O[C@@H]1c1ccccc1.
What is the InChIKey of (3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione?
The InChIKey is NJEHRDMPAXVGIL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H12O4/c17-15-13(11-7-3-1-4-8-11)19-16(18)14(20-15)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1.
What are the key properties of (3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione?
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione has a molecular weight of 268.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione is sourced from PubChem (CID 101432935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).