2-methyl-4-oxochromene-7-carboxylic acid

C11H8O4 — CID 166609828

IUPAC2-methyl-4-oxochromene-7-carboxylic acid
SMILESCc1cc(=O)c2ccc(C(=O)O)cc2o1
InChIInChI=1S/C11H8O4/c1-6-4-9(12)8-3-2-7(11(13)14)5-10(8)15-6/h2-5H,1H3,(H,13,14)
InChIKeyMPTPWSACXWLFGT-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.80
Rot. Bonds1

About 2-methyl-4-oxochromene-7-carboxylic acid

2-methyl-4-oxochromene-7-carboxylic acid (PubChem CID 166609828) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-methyl-4-oxochromene-7-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-oxochromene-7-carboxylic acid
PubChem CID166609828
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name2-methyl-4-oxochromene-7-carboxylic acid
SMILESCc1cc(=O)c2ccc(C(=O)O)cc2o1
InChIInChI=1S/C11H8O4/c1-6-4-9(12)8-3-2-7(11(13)14)5-10(8)15-6/h2-5H,1H3,(H,13,14)
InChIKeyMPTPWSACXWLFGT-UHFFFAOYSA-N
XLogP1.80
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-dimethylchromen-4-one
CID 2343140
2-methyl-7-sulfanylchromen-4-one
CID 15171696
2-methyl-7-(trifluoromethyl)chromen-4-one
CID 125486339
3-(7-methyl-4-oxochromen-2-yl)benzoic acid
CID 82043714
6-oxobenzo[c]chromene-3-carboxylic acid
CID 20530939
4-(7-tert-butyl-4-oxochromen-2-yl)benzoic acid
CID 14052601
3-methyl-1-benzofuran-6-carboxylic acid
CID 69362460
methanamine;2-methylchromen-4-one
CID 91311034
ethyl 2-methyl-4-oxochromene-6-carboxylate
CID 15939970
carbon dioxide;9-oxoxanthene-3-carboxylic acid
CID 158563906
8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid
CID 151070737
2-(2-butan-2-yloxyphenyl)-4-oxochromene-7-carboxylic acid
CID 21325094

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxochromene-7-carboxylic acid?
The IUPAC name of 2-methyl-4-oxochromene-7-carboxylic acid (CID 166609828) is 2-methyl-4-oxochromene-7-carboxylic acid.
What is the SMILES notation for 2-methyl-4-oxochromene-7-carboxylic acid?
The canonical SMILES for 2-methyl-4-oxochromene-7-carboxylic acid is Cc1cc(=O)c2ccc(C(=O)O)cc2o1.
What is the InChIKey of 2-methyl-4-oxochromene-7-carboxylic acid?
The InChIKey is MPTPWSACXWLFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c1-6-4-9(12)8-3-2-7(11(13)14)5-10(8)15-6/h2-5H,1H3,(H,13,14).
What are the key properties of 2-methyl-4-oxochromene-7-carboxylic acid?
2-methyl-4-oxochromene-7-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxochromene-7-carboxylic acid is sourced from PubChem (CID 166609828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).