7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid

C12H8O7 — CID 154157927

IUPAC7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid
SMILESO=C(O)COc1ccc2c(=O)cc(C(=O)O)oc2c1
InChIInChI=1S/C12H8O7/c13-8-4-10(12(16)17)19-9-3-6(1-2-7(8)9)18-5-11(14)15/h1-4H,5H2,(H,14,15)(H,16,17)
InChIKeyJIXIFXOCQBEGHC-UHFFFAOYSA-N
MW264.19 g/mol
LogP0.95
Rot. Bonds4

About 7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid

7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid (PubChem CID 154157927) has the molecular formula C12H8O7 and a molecular weight of 264.19 g/mol. Its IUPAC name is 7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid
PubChem CID154157927
Molecular FormulaC12H8O7
Molecular Weight264.19 g/mol
Exact Mass264.03
IUPAC Name7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid
SMILESO=C(O)COc1ccc2c(=O)cc(C(=O)O)oc2c1
InChIInChI=1S/C12H8O7/c13-8-4-10(12(16)17)19-9-3-6(1-2-7(8)9)18-5-11(14)15/h1-4H,5H2,(H,14,15)(H,16,17)
InChIKeyJIXIFXOCQBEGHC-UHFFFAOYSA-N
XLogP0.95
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-(2,4-dimethylphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
CID 13090982
2-[4-(2-methylpropyl)-2-oxochromen-7-yl]oxyacetic acid
CID 166964172
4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid
CID 2322568
7-cyano-4-oxochromene-2-carboxylic acid
CID 151758187
2-(3-butan-2-yloxy-4-hydroxy-2-oxochromen-7-yl)oxyacetic acid
CID 87969106
2-(4-methyl-2-oxo-3-propylchromen-7-yl)oxyacetic acid
CID 725775
2-(3-bromo-2-oxo-4-propylchromen-7-yl)oxyacetic acid
CID 7061909
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid
CID 169229514
2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride
CID 82020833
2-[4-hydroxy-3-(3-methylbut-2-enoxy)-2-oxochromen-7-yl]oxyacetic acid
CID 54696733
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266

Frequently Asked Questions

What is the IUPAC name of 7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid?
The IUPAC name of 7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid (CID 154157927) is 7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid is O=C(O)COc1ccc2c(=O)cc(C(=O)O)oc2c1.
What is the InChIKey of 7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid?
The InChIKey is JIXIFXOCQBEGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O7/c13-8-4-10(12(16)17)19-9-3-6(1-2-7(8)9)18-5-11(14)15/h1-4H,5H2,(H,14,15)(H,16,17).
What are the key properties of 7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid?
7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid has a molecular weight of 264.19 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 154157927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).