8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid

C12H10O5 — CID 847725

IUPAC8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid
SMILESCOc1cc(C)cc2c(=O)cc(C(=O)O)oc12
InChIInChI=1S/C12H10O5/c1-6-3-7-8(13)5-10(12(14)15)17-11(7)9(4-6)16-2/h3-5H,1-2H3,(H,14,15)
InChIKeyQRZXSQFIWVKOEX-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.81
Rot. Bonds2

About 8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid

8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid (PubChem CID 847725) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid
PubChem CID847725
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid
SMILESCOc1cc(C)cc2c(=O)cc(C(=O)O)oc12
InChIInChI=1S/C12H10O5/c1-6-3-7-8(13)5-10(12(14)15)17-11(7)9(4-6)16-2/h3-5H,1-2H3,(H,14,15)
InChIKeyQRZXSQFIWVKOEX-UHFFFAOYSA-N
XLogP1.81
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid?
The IUPAC name of 8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid (CID 847725) is 8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid is COc1cc(C)cc2c(=O)cc(C(=O)O)oc12.
What is the InChIKey of 8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid?
The InChIKey is QRZXSQFIWVKOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c1-6-3-7-8(13)5-10(12(14)15)17-11(7)9(4-6)16-2/h3-5H,1-2H3,(H,14,15).
What are the key properties of 8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid?
8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 847725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).