5,8-dimethoxy-4-oxochromene-2-carboxylate

C12H9O6- — CID 6928203

IUPAC5,8-dimethoxy-4-oxochromene-2-carboxylate
SMILESCOc1ccc(OC)c2c(=O)cc(C(=O)[O-])oc12
InChIInChI=1S/C12H10O6/c1-16-7-3-4-8(17-2)11-10(7)6(13)5-9(18-11)12(14)15/h3-5H,1-2H3,(H,14,15)/p-1
InChIKeyKJLPUHZDFLXPIR-UHFFFAOYSA-M
MW249.20 g/mol
LogP0.17
Rot. Bonds3

About 5,8-dimethoxy-4-oxochromene-2-carboxylate

5,8-dimethoxy-4-oxochromene-2-carboxylate (PubChem CID 6928203) has the molecular formula C12H9O6- and a molecular weight of 249.20 g/mol. Its IUPAC name is 5,8-dimethoxy-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name5,8-dimethoxy-4-oxochromene-2-carboxylate
PubChem CID6928203
Molecular FormulaC12H9O6-
Molecular Weight249.20 g/mol
Exact Mass249.04
IUPAC Name5,8-dimethoxy-4-oxochromene-2-carboxylate
SMILESCOc1ccc(OC)c2c(=O)cc(C(=O)[O-])oc12
InChIInChI=1S/C12H10O6/c1-16-7-3-4-8(17-2)11-10(7)6(13)5-9(18-11)12(14)15/h3-5H,1-2H3,(H,14,15)/p-1
InChIKeyKJLPUHZDFLXPIR-UHFFFAOYSA-M
XLogP0.17
TPSA88.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-dimethoxy-2-methylsulfanylchromen-4-one
CID 134910868
2-(3-hydroxypropanoyl)-8-methoxy-5-(2-oxopropyl)chromen-4-one
CID 132522560
5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one
CID 12730612
5-chloro-7-methoxy-1-benzofuran-2-carboxylate
CID 2060034
methyl 2-[5-methoxy-8-[5-methoxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-oxochromen-8-yl]-4-oxochromen-2-yl]-2-methylpropanoate
CID 162778633
8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid
CID 154093779
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
CID 6975739
sodium 5-(2-hydroxypropoxy)-7-methyl-4-oxo-8-propylchromene-2-carboxylate
CID 70514749
N-[2-[2-(2,2-dimethylpropanoylamino)phenyl]-8-methoxy-4-oxochromen-5-yl]-2,2-dimethylpropanamide
CID 70365404
5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid
CID 13455101
7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
CID 12724106

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-4-oxochromene-2-carboxylate?
The IUPAC name of 5,8-dimethoxy-4-oxochromene-2-carboxylate (CID 6928203) is 5,8-dimethoxy-4-oxochromene-2-carboxylate.
What is the SMILES notation for 5,8-dimethoxy-4-oxochromene-2-carboxylate?
The canonical SMILES for 5,8-dimethoxy-4-oxochromene-2-carboxylate is COc1ccc(OC)c2c(=O)cc(C(=O)[O-])oc12.
What is the InChIKey of 5,8-dimethoxy-4-oxochromene-2-carboxylate?
The InChIKey is KJLPUHZDFLXPIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O6/c1-16-7-3-4-8(17-2)11-10(7)6(13)5-9(18-11)12(14)15/h3-5H,1-2H3,(H,14,15)/p-1.
What are the key properties of 5,8-dimethoxy-4-oxochromene-2-carboxylate?
5,8-dimethoxy-4-oxochromene-2-carboxylate has a molecular weight of 249.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-4-oxochromene-2-carboxylate is sourced from PubChem (CID 6928203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).