7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid

C14H8O5S — CID 152727536

IUPAC7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O
InChIInChI=1S/C14H8O5S/c15-10-6-11-7(4-8(10)12-2-1-3-20-12)5-9(13(16)17)14(18)19-11/h1-6,15H,(H,16,17)
InChIKeyZWXRCOYMKLCVFG-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.93
Rot. Bonds2

About 7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid

7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid (PubChem CID 152727536) has the molecular formula C14H8O5S and a molecular weight of 288.28 g/mol. Its IUPAC name is 7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid
PubChem CID152727536
Molecular FormulaC14H8O5S
Molecular Weight288.28 g/mol
Exact Mass288.01
IUPAC Name7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O
InChIInChI=1S/C14H8O5S/c15-10-6-11-7(4-8(10)12-2-1-3-20-12)5-9(13(16)17)14(18)19-11/h1-6,15H,(H,16,17)
InChIKeyZWXRCOYMKLCVFG-UHFFFAOYSA-N
XLogP2.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid?
The IUPAC name of 7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid (CID 152727536) is 7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid.
What is the SMILES notation for 7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid?
The canonical SMILES for 7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid is O=C(O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid?
The InChIKey is ZWXRCOYMKLCVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5S/c15-10-6-11-7(4-8(10)12-2-1-3-20-12)5-9(13(16)17)14(18)19-11/h1-6,15H,(H,16,17).
What are the key properties of 7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid?
7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid has a molecular weight of 288.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid is sourced from PubChem (CID 152727536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).