6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid

C14H8O5 — CID 11448226

IUPAC6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid
SMILESO=C(O)c1c(O)c2ccccc2c2oc(=O)ccc12
InChIInChI=1S/C14H8O5/c15-10-6-5-9-11(14(17)18)12(16)7-3-1-2-4-8(7)13(9)19-10/h1-6,16H,(H,17,18)
InChIKeyOQCSEHBFDRABRJ-UHFFFAOYSA-N
MW256.21 g/mol
LogP2.35
Rot. Bonds1

About 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid

6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid (PubChem CID 11448226) has the molecular formula C14H8O5 and a molecular weight of 256.21 g/mol. Its IUPAC name is 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid
PubChem CID11448226
Molecular FormulaC14H8O5
Molecular Weight256.21 g/mol
Exact Mass256.04
IUPAC Name6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid
SMILESO=C(O)c1c(O)c2ccccc2c2oc(=O)ccc12
InChIInChI=1S/C14H8O5/c15-10-6-5-9-11(14(17)18)12(16)7-3-1-2-4-8(7)13(9)19-10/h1-6,16H,(H,17,18)
InChIKeyOQCSEHBFDRABRJ-UHFFFAOYSA-N
XLogP2.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid?
The IUPAC name of 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid (CID 11448226) is 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid is O=C(O)c1c(O)c2ccccc2c2oc(=O)ccc12.
What is the InChIKey of 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid?
The InChIKey is OQCSEHBFDRABRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5/c15-10-6-5-9-11(14(17)18)12(16)7-3-1-2-4-8(7)13(9)19-10/h1-6,16H,(H,17,18).
What are the key properties of 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid?
6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid has a molecular weight of 256.21 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid is sourced from PubChem (CID 11448226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).