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

C20H18O2S — CID 102336686

IUPAC5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1ccc(-c2sc(-c3ccc(C)cc3)c3c2OCCO3)cc1
InChIInChI=1S/C20H18O2S/c1-13-3-7-15(8-4-13)19-17-18(22-12-11-21-17)20(23-19)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyRZKADLQKTPGKTP-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.47
Rot. Bonds2

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

5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 102336686) has the molecular formula C20H18O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID102336686
Molecular FormulaC20H18O2S
Molecular Weight322.43 g/mol
Exact Mass322.10
IUPAC Name5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1ccc(-c2sc(-c3ccc(C)cc3)c3c2OCCO3)cc1
InChIInChI=1S/C20H18O2S/c1-13-3-7-15(8-4-13)19-17-18(22-12-11-21-17)20(23-19)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyRZKADLQKTPGKTP-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 102336686) is 5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1ccc(-c2sc(-c3ccc(C)cc3)c3c2OCCO3)cc1.
What is the InChIKey of 5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is RZKADLQKTPGKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2S/c1-13-3-7-15(8-4-13)19-17-18(22-12-11-21-17)20(23-19)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 322.43 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 102336686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).