5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C19H16O5S2 — CID 59027675

IUPAC5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOc1ccc(-c2sc(-c3scc4c3OCCO4)c3c2OCCO3)cc1
InChIInChI=1S/C19H16O5S2/c1-20-12-4-2-11(3-5-12)17-15-16(24-9-8-23-15)19(26-17)18-14-13(10-25-18)21-6-7-22-14/h2-5,10H,6-9H2,1H3
InChIKeyPERXORUDXOYQLQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.69
Rot. Bonds3

About 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 59027675) has the molecular formula C19H16O5S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID59027675
Molecular FormulaC19H16O5S2
Molecular Weight388.47 g/mol
Exact Mass388.04
IUPAC Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOc1ccc(-c2sc(-c3scc4c3OCCO4)c3c2OCCO3)cc1
InChIInChI=1S/C19H16O5S2/c1-20-12-4-2-11(3-5-12)17-15-16(24-9-8-23-15)19(26-17)18-14-13(10-25-18)21-6-7-22-14/h2-5,10H,6-9H2,1H3
InChIKeyPERXORUDXOYQLQ-UHFFFAOYSA-N
XLogP4.69
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 59027675) is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is COc1ccc(-c2sc(-c3scc4c3OCCO4)c3c2OCCO3)cc1.
What is the InChIKey of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is PERXORUDXOYQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5S2/c1-20-12-4-2-11(3-5-12)17-15-16(24-9-8-23-15)19(26-17)18-14-13(10-25-18)21-6-7-22-14/h2-5,10H,6-9H2,1H3.
What are the key properties of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 388.47 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 59027675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).