6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid

C13H12O6 — CID 53231247

IUPAC6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid
SMILESCOc1cc2oc(C(=O)O)c(C)c(=O)c2cc1OC
InChIInChI=1S/C13H12O6/c1-6-11(14)7-4-9(17-2)10(18-3)5-8(7)19-12(6)13(15)16/h4-5H,1-3H3,(H,15,16)
InChIKeyUWWNJLSUNOMYIM-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.82
Rot. Bonds3

About 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid

6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid (PubChem CID 53231247) has the molecular formula C13H12O6 and a molecular weight of 264.23 g/mol. Its IUPAC name is 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid
PubChem CID53231247
Molecular FormulaC13H12O6
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid
SMILESCOc1cc2oc(C(=O)O)c(C)c(=O)c2cc1OC
InChIInChI=1S/C13H12O6/c1-6-11(14)7-4-9(17-2)10(18-3)5-8(7)19-12(6)13(15)16/h4-5H,1-3H3,(H,15,16)
InChIKeyUWWNJLSUNOMYIM-UHFFFAOYSA-N
XLogP1.82
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dihydroxy-3-methyl-4-oxochromene-2-carboxylic acid
CID 53231346
3-methyl-4-oxochromene-2-carboxylic acid
CID 14958195
2,3-dimethoxy-5-methylxanthen-9-one
CID 154723005
3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one
CID 19428132
methyl 5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 162342579
3-iodo-6,7-dimethoxy-2-phenylchromen-4-one
CID 11718442
2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 123956955
5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid
CID 45269018
6-[5-(2-carboxy-7-methoxy-4-oxochromen-6-yl)oxypentoxy]-7-methoxy-4-oxochromene-2-carboxylic acid;dihydrate
CID 162076877
ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 11358293
5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 3240137
2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 25272422

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid (CID 53231247) is 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid is COc1cc2oc(C(=O)O)c(C)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid?
The InChIKey is UWWNJLSUNOMYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O6/c1-6-11(14)7-4-9(17-2)10(18-3)5-8(7)19-12(6)13(15)16/h4-5H,1-3H3,(H,15,16).
What are the key properties of 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid?
6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid has a molecular weight of 264.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-methyl-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 53231247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).