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

C13H12O3S — CID 56924418

IUPAC5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOc1ccc(-c2scc3c2OCCO3)cc1
InChIInChI=1S/C13H12O3S/c1-14-10-4-2-9(3-5-10)13-12-11(8-17-13)15-6-7-16-12/h2-5,8H,6-7H2,1H3
InChIKeyXUQGMFYCGYHWKU-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.19
Rot. Bonds2

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

5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 56924418) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID56924418
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOc1ccc(-c2scc3c2OCCO3)cc1
InChIInChI=1S/C13H12O3S/c1-14-10-4-2-9(3-5-10)13-12-11(8-17-13)15-6-7-16-12/h2-5,8H,6-7H2,1H3
InChIKeyXUQGMFYCGYHWKU-UHFFFAOYSA-N
XLogP3.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 56924418) is 5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is COc1ccc(-c2scc3c2OCCO3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is XUQGMFYCGYHWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-14-10-4-2-9(3-5-10)13-12-11(8-17-13)15-6-7-16-12/h2-5,8H,6-7H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 248.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 56924418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).