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

C20H18O4S — CID 86259075

IUPAC5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOc1ccc(-c2sc(-c3ccc(OC)cc3)c3c2OCCO3)cc1
InChIInChI=1S/C20H18O4S/c1-21-15-7-3-13(4-8-15)19-17-18(24-12-11-23-17)20(25-19)14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyNAPMVEZEJQCCRZ-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.87
Rot. Bonds4

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

5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 86259075) has the molecular formula C20H18O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID86259075
Molecular FormulaC20H18O4S
Molecular Weight354.43 g/mol
Exact Mass354.09
IUPAC Name5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOc1ccc(-c2sc(-c3ccc(OC)cc3)c3c2OCCO3)cc1
InChIInChI=1S/C20H18O4S/c1-21-15-7-3-13(4-8-15)19-17-18(24-12-11-23-17)20(25-19)14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyNAPMVEZEJQCCRZ-UHFFFAOYSA-N
XLogP4.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 86259075) is 5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is COc1ccc(-c2sc(-c3ccc(OC)cc3)c3c2OCCO3)cc1.
What is the InChIKey of 5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is NAPMVEZEJQCCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4S/c1-21-15-7-3-13(4-8-15)19-17-18(24-12-11-23-17)20(25-19)14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 354.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 86259075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).