(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane

C20H24O2 — CID 22838647

IUPAC(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane
SMILESCCc1ccc([C@@H]2CO[C@@H](c3ccc(CC)cc3)CO2)cc1
InChIInChI=1S/C20H24O2/c1-3-15-5-9-17(10-6-15)19-13-22-20(14-21-19)18-11-7-16(4-2)8-12-18/h5-12,19-20H,3-4,13-14H2,1-2H3/t19-,20+
InChIKeyROLWARZNDJLXAT-BGYRXZFFSA-N
MW296.41 g/mol
LogP4.64
Rot. Bonds4

About (2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane

(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane (PubChem CID 22838647) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane.

Molecular Properties

Compound Name(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane
PubChem CID22838647
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane
SMILESCCc1ccc([C@@H]2CO[C@@H](c3ccc(CC)cc3)CO2)cc1
InChIInChI=1S/C20H24O2/c1-3-15-5-9-17(10-6-15)19-13-22-20(14-21-19)18-11-7-16(4-2)8-12-18/h5-12,19-20H,3-4,13-14H2,1-2H3/t19-,20+
InChIKeyROLWARZNDJLXAT-BGYRXZFFSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane?
The IUPAC name of (2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane (CID 22838647) is (2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane.
What is the SMILES notation for (2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane?
The canonical SMILES for (2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane is CCc1ccc([C@@H]2CO[C@@H](c3ccc(CC)cc3)CO2)cc1.
What is the InChIKey of (2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane?
The InChIKey is ROLWARZNDJLXAT-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-15-5-9-17(10-6-15)19-13-22-20(14-21-19)18-11-7-16(4-2)8-12-18/h5-12,19-20H,3-4,13-14H2,1-2H3/t19-,20+.
What are the key properties of (2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane?
(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane has a molecular weight of 296.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane is sourced from PubChem (CID 22838647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).