9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid

C15H10O5 — CID 166609270

IUPAC9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
SMILESCOc1ccc2ccc3oc(=O)c(C(=O)O)cc3c2c1
InChIInChI=1S/C15H10O5/c1-19-9-4-2-8-3-5-13-11(10(8)6-9)7-12(14(16)17)15(18)20-13/h2-7H,1H3,(H,16,17)
InChIKeyRSKBYUMTHYEJOU-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.65
Rot. Bonds2

About 9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid

9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid (PubChem CID 166609270) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid.

Molecular Properties

Compound Name9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
PubChem CID166609270
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
SMILESCOc1ccc2ccc3oc(=O)c(C(=O)O)cc3c2c1
InChIInChI=1S/C15H10O5/c1-19-9-4-2-8-3-5-13-11(10(8)6-9)7-12(14(16)17)15(18)20-13/h2-7H,1H3,(H,16,17)
InChIKeyRSKBYUMTHYEJOU-UHFFFAOYSA-N
XLogP2.65
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid?
The IUPAC name of 9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid (CID 166609270) is 9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid.
What is the SMILES notation for 9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid?
The canonical SMILES for 9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid is COc1ccc2ccc3oc(=O)c(C(=O)O)cc3c2c1.
What is the InChIKey of 9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid?
The InChIKey is RSKBYUMTHYEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c1-19-9-4-2-8-3-5-13-11(10(8)6-9)7-12(14(16)17)15(18)20-13/h2-7H,1H3,(H,16,17).
What are the key properties of 9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid?
9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid is sourced from PubChem (CID 166609270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).