(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane

C16H14Cl2O2 — CID 71365494

IUPAC(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
SMILESClc1ccc([C@H]2OCCO[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14Cl2O2/c17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2/t15-,16+
InChIKeyROPBIZIYEZEHIP-IYBDPMFKSA-N
MW309.19 g/mol
LogP4.82
Rot. Bonds2

About (2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane

(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane (PubChem CID 71365494) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is (2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane.

Molecular Properties

Compound Name(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
PubChem CID71365494
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
SMILESClc1ccc([C@H]2OCCO[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14Cl2O2/c17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2/t15-,16+
InChIKeyROPBIZIYEZEHIP-IYBDPMFKSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane?
The IUPAC name of (2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane (CID 71365494) is (2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane.
What is the SMILES notation for (2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane?
The canonical SMILES for (2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane is Clc1ccc([C@H]2OCCO[C@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane?
The InChIKey is ROPBIZIYEZEHIP-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2/t15-,16+.
What are the key properties of (2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane?
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane has a molecular weight of 309.19 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane is sourced from PubChem (CID 71365494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).