5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid

C14H10O6 — CID 13091184

IUPAC5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid
SMILESCOc1ccc(C(=O)c2coc(C(=O)O)cc2=O)cc1
InChIInChI=1S/C14H10O6/c1-19-9-4-2-8(3-5-9)13(16)10-7-20-12(14(17)18)6-11(10)15/h2-7H,1H3,(H,17,18)
InChIKeyVUXAZRICRZIONY-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.58
Rot. Bonds4

About 5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid

5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid (PubChem CID 13091184) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid
PubChem CID13091184
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid
SMILESCOc1ccc(C(=O)c2coc(C(=O)O)cc2=O)cc1
InChIInChI=1S/C14H10O6/c1-19-9-4-2-8(3-5-9)13(16)10-7-20-12(14(17)18)6-11(10)15/h2-7H,1H3,(H,17,18)
InChIKeyVUXAZRICRZIONY-UHFFFAOYSA-N
XLogP1.58
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962
2-(4-methoxybenzoyl)-4-methylbenzoic acid
CID 69212990
3-benzoyl-6-methoxychromen-4-one
CID 747889
(7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 66804747
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 2764444

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid?
The IUPAC name of 5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid (CID 13091184) is 5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid is COc1ccc(C(=O)c2coc(C(=O)O)cc2=O)cc1.
What is the InChIKey of 5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid?
The InChIKey is VUXAZRICRZIONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c1-19-9-4-2-8(3-5-9)13(16)10-7-20-12(14(17)18)6-11(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of 5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid?
5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 13091184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).