2-(3-thiophen-3-ylphenyl)-1,3-dioxane

C14H14O2S — CID 102075211

IUPAC2-(3-thiophen-3-ylphenyl)-1,3-dioxane
SMILESc1cc(-c2ccsc2)cc(C2OCCCO2)c1
InChIInChI=1S/C14H14O2S/c1-3-11(13-5-8-17-10-13)9-12(4-1)14-15-6-2-7-16-14/h1,3-5,8-10,14H,2,6-7H2
InChIKeyVOKVTEKZXMJZQL-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.85
Rot. Bonds2

About 2-(3-thiophen-3-ylphenyl)-1,3-dioxane

2-(3-thiophen-3-ylphenyl)-1,3-dioxane (PubChem CID 102075211) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(3-thiophen-3-ylphenyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(3-thiophen-3-ylphenyl)-1,3-dioxane
PubChem CID102075211
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name2-(3-thiophen-3-ylphenyl)-1,3-dioxane
SMILESc1cc(-c2ccsc2)cc(C2OCCCO2)c1
InChIInChI=1S/C14H14O2S/c1-3-11(13-5-8-17-10-13)9-12(4-1)14-15-6-2-7-16-14/h1,3-5,8-10,14H,2,6-7H2
InChIKeyVOKVTEKZXMJZQL-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-3-ylphenyl)-1,3-dioxane?
The IUPAC name of 2-(3-thiophen-3-ylphenyl)-1,3-dioxane (CID 102075211) is 2-(3-thiophen-3-ylphenyl)-1,3-dioxane.
What is the SMILES notation for 2-(3-thiophen-3-ylphenyl)-1,3-dioxane?
The canonical SMILES for 2-(3-thiophen-3-ylphenyl)-1,3-dioxane is c1cc(-c2ccsc2)cc(C2OCCCO2)c1.
What is the InChIKey of 2-(3-thiophen-3-ylphenyl)-1,3-dioxane?
The InChIKey is VOKVTEKZXMJZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-3-11(13-5-8-17-10-13)9-12(4-1)14-15-6-2-7-16-14/h1,3-5,8-10,14H,2,6-7H2.
What are the key properties of 2-(3-thiophen-3-ylphenyl)-1,3-dioxane?
2-(3-thiophen-3-ylphenyl)-1,3-dioxane has a molecular weight of 246.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-3-ylphenyl)-1,3-dioxane is sourced from PubChem (CID 102075211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).