5-hydroxy-2-oxochromene-3-carboxylic acid

C10H6O5 — CID 91664855

IUPAC5-hydroxy-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2c(O)cccc2oc1=O
InChIInChI=1S/C10H6O5/c11-7-2-1-3-8-5(7)4-6(9(12)13)10(14)15-8/h1-4,11H,(H,12,13)
InChIKeyDTDWDNSOILSNIU-UHFFFAOYSA-N
MW206.15 g/mol
LogP1.20
Rot. Bonds1

About 5-hydroxy-2-oxochromene-3-carboxylic acid

5-hydroxy-2-oxochromene-3-carboxylic acid (PubChem CID 91664855) has the molecular formula C10H6O5 and a molecular weight of 206.15 g/mol. Its IUPAC name is 5-hydroxy-2-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-oxochromene-3-carboxylic acid
PubChem CID91664855
Molecular FormulaC10H6O5
Molecular Weight206.15 g/mol
Exact Mass206.02
IUPAC Name5-hydroxy-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2c(O)cccc2oc1=O
InChIInChI=1S/C10H6O5/c11-7-2-1-3-8-5(7)4-6(9(12)13)10(14)15-8/h1-4,11H,(H,12,13)
InChIKeyDTDWDNSOILSNIU-UHFFFAOYSA-N
XLogP1.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxochromene-3-carboxylic acid
CID 161011590
6-oxobenzo[c]chromene-7-carboxylic acid
CID 14083219
5-hydroxychromen-2-one
CID 5318179
5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxochromene-3-carboxylic acid
CID 122496509
2-oxobenzo[g]chromene-3-carboxylic acid
CID 11345462
1,2-bis(5-methoxy-2-oxochromen-3-yl)ethane-1,2-dione
CID 87234772
9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
CID 166609270
methyl 5-fluoro-2-oxochromene-3-carboxylate
CID 166609254
2-oxochromene-3,6-dicarboxylic acid
CID 22966
methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate
CID 102039945
5,6-dimethyl-2-oxo-7-phenylmethoxychromene-3-carboxylic acid
CID 121297954
(3-acetyloxy-5-hydroxy-2-oxochromen-4-yl) acetate
CID 19928858

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-oxochromene-3-carboxylic acid?
The IUPAC name of 5-hydroxy-2-oxochromene-3-carboxylic acid (CID 91664855) is 5-hydroxy-2-oxochromene-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-oxochromene-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-oxochromene-3-carboxylic acid is O=C(O)c1cc2c(O)cccc2oc1=O.
What is the InChIKey of 5-hydroxy-2-oxochromene-3-carboxylic acid?
The InChIKey is DTDWDNSOILSNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O5/c11-7-2-1-3-8-5(7)4-6(9(12)13)10(14)15-8/h1-4,11H,(H,12,13).
What are the key properties of 5-hydroxy-2-oxochromene-3-carboxylic acid?
5-hydroxy-2-oxochromene-3-carboxylic acid has a molecular weight of 206.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-oxochromene-3-carboxylic acid is sourced from PubChem (CID 91664855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).