5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C18H14O4S2 — CID 23103049

IUPAC5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1cc(-c2scc3c2OCCO3)ccc1-c1scc2c1OCCO2
InChIInChI=1S/C18H14O4S2/c1-2-12(18-16-14(10-24-18)20-6-8-22-16)4-3-11(1)17-15-13(9-23-17)19-5-7-21-15/h1-4,9-10H,5-8H2
InChIKeyVQXXYLBCWJZMOP-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.69
Rot. Bonds2

About 5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 23103049) has the molecular formula C18H14O4S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID23103049
Molecular FormulaC18H14O4S2
Molecular Weight358.44 g/mol
Exact Mass358.03
IUPAC Name5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1cc(-c2scc3c2OCCO3)ccc1-c1scc2c1OCCO2
InChIInChI=1S/C18H14O4S2/c1-2-12(18-16-14(10-24-18)20-6-8-22-16)4-3-11(1)17-15-13(9-23-17)19-5-7-21-15/h1-4,9-10H,5-8H2
InChIKeyVQXXYLBCWJZMOP-UHFFFAOYSA-N
XLogP4.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 23103049) is 5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is c1cc(-c2scc3c2OCCO3)ccc1-c1scc2c1OCCO2.
What is the InChIKey of 5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is VQXXYLBCWJZMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4S2/c1-2-12(18-16-14(10-24-18)20-6-8-22-16)4-3-11(1)17-15-13(9-23-17)19-5-7-21-15/h1-4,9-10H,5-8H2.
What are the key properties of 5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 358.44 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 23103049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).