5,7-dihydroxy-2-thiophen-2-ylchromen-4-one

C13H8O4S — CID 125494169

IUPAC5,7-dihydroxy-2-thiophen-2-ylchromen-4-one
SMILESO=c1cc(-c2cccs2)oc2cc(O)cc(O)c12
InChIInChI=1S/C13H8O4S/c14-7-4-8(15)13-9(16)6-10(17-11(13)5-7)12-2-1-3-18-12/h1-6,14-15H
InChIKeyGFQATTDBACQPFB-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.93
Rot. Bonds1

About 5,7-dihydroxy-2-thiophen-2-ylchromen-4-one

5,7-dihydroxy-2-thiophen-2-ylchromen-4-one (PubChem CID 125494169) has the molecular formula C13H8O4S and a molecular weight of 260.27 g/mol. Its IUPAC name is 5,7-dihydroxy-2-thiophen-2-ylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-thiophen-2-ylchromen-4-one
PubChem CID125494169
Molecular FormulaC13H8O4S
Molecular Weight260.27 g/mol
Exact Mass260.01
IUPAC Name5,7-dihydroxy-2-thiophen-2-ylchromen-4-one
SMILESO=c1cc(-c2cccs2)oc2cc(O)cc(O)c12
InChIInChI=1S/C13H8O4S/c14-7-4-8(15)13-9(16)6-10(17-11(13)5-7)12-2-1-3-18-12/h1-6,14-15H
InChIKeyGFQATTDBACQPFB-UHFFFAOYSA-N
XLogP2.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-Hydroxy-2-(thiophen-2-yl)-4h-chromen-4-one
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5-Hydroxy-2-(2-thiophen-2-ylethyl)chromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-thiophen-2-ylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-thiophen-2-ylchromen-4-one (CID 125494169) is 5,7-dihydroxy-2-thiophen-2-ylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-thiophen-2-ylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-thiophen-2-ylchromen-4-one is O=c1cc(-c2cccs2)oc2cc(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-2-thiophen-2-ylchromen-4-one?
The InChIKey is GFQATTDBACQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O4S/c14-7-4-8(15)13-9(16)6-10(17-11(13)5-7)12-2-1-3-18-12/h1-6,14-15H.
What are the key properties of 5,7-dihydroxy-2-thiophen-2-ylchromen-4-one?
5,7-dihydroxy-2-thiophen-2-ylchromen-4-one has a molecular weight of 260.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-thiophen-2-ylchromen-4-one is sourced from PubChem (CID 125494169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).