5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one

C14H12O3S — CID 13352399

IUPAC5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one
SMILESCOc1ccc(C2CC(=O)c3sccc3O2)cc1
InChIInChI=1S/C14H12O3S/c1-16-10-4-2-9(3-5-10)13-8-11(15)14-12(17-13)6-7-18-14/h2-7,13H,8H2,1H3
InChIKeyKDYIHNSBAQZZBB-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.46
Rot. Bonds2

About 5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one

5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one (PubChem CID 13352399) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one
PubChem CID13352399
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one
SMILESCOc1ccc(C2CC(=O)c3sccc3O2)cc1
InChIInChI=1S/C14H12O3S/c1-16-10-4-2-9(3-5-10)13-8-11(15)14-12(17-13)6-7-18-14/h2-7,13H,8H2,1H3
InChIKeyKDYIHNSBAQZZBB-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one?
The IUPAC name of 5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one (CID 13352399) is 5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one?
The canonical SMILES for 5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one is COc1ccc(C2CC(=O)c3sccc3O2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one?
The InChIKey is KDYIHNSBAQZZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-16-10-4-2-9(3-5-10)13-8-11(15)14-12(17-13)6-7-18-14/h2-7,13H,8H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one?
5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one has a molecular weight of 260.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one is sourced from PubChem (CID 13352399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).