7-hydroxy-3-thiophen-2-ylchromen-2-one

C13H8O3S — CID 5447033

IUPAC7-hydroxy-3-thiophen-2-ylchromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1cccs1
InChIInChI=1S/C13H8O3S/c14-9-4-3-8-6-10(12-2-1-5-17-12)13(15)16-11(8)7-9/h1-7,14H
InChIKeyOIZFJFDOAJYKCC-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.23
Rot. Bonds1

About 7-hydroxy-3-thiophen-2-ylchromen-2-one

7-hydroxy-3-thiophen-2-ylchromen-2-one (PubChem CID 5447033) has the molecular formula C13H8O3S and a molecular weight of 244.27 g/mol. Its IUPAC name is 7-hydroxy-3-thiophen-2-ylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-thiophen-2-ylchromen-2-one
PubChem CID5447033
Molecular FormulaC13H8O3S
Molecular Weight244.27 g/mol
Exact Mass244.02
IUPAC Name7-hydroxy-3-thiophen-2-ylchromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1cccs1
InChIInChI=1S/C13H8O3S/c14-9-4-3-8-6-10(12-2-1-5-17-12)13(15)16-11(8)7-9/h1-7,14H
InChIKeyOIZFJFDOAJYKCC-UHFFFAOYSA-N
XLogP3.23
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-thiophen-2-ylchromen-2-one?
The IUPAC name of 7-hydroxy-3-thiophen-2-ylchromen-2-one (CID 5447033) is 7-hydroxy-3-thiophen-2-ylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-thiophen-2-ylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-thiophen-2-ylchromen-2-one is O=c1oc2cc(O)ccc2cc1-c1cccs1.
What is the InChIKey of 7-hydroxy-3-thiophen-2-ylchromen-2-one?
The InChIKey is OIZFJFDOAJYKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3S/c14-9-4-3-8-6-10(12-2-1-5-17-12)13(15)16-11(8)7-9/h1-7,14H.
What are the key properties of 7-hydroxy-3-thiophen-2-ylchromen-2-one?
7-hydroxy-3-thiophen-2-ylchromen-2-one has a molecular weight of 244.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-thiophen-2-ylchromen-2-one is sourced from PubChem (CID 5447033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).