4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid

C15H15NO5 — CID 43162043

IUPAC4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCOc1cccc(OC)c1C(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C15H15NO5/c1-16-8-9(7-10(16)15(18)19)14(17)13-11(20-2)5-4-6-12(13)21-3/h4-8H,1-3H3,(H,18,19)
InChIKeyOZBWWTJIRWHYIG-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.97
Rot. Bonds5

About 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid

4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 43162043) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID43162043
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCOc1cccc(OC)c1C(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C15H15NO5/c1-16-8-9(7-10(16)15(18)19)14(17)13-11(20-2)5-4-6-12(13)21-3/h4-8H,1-3H3,(H,18,19)
InChIKeyOZBWWTJIRWHYIG-UHFFFAOYSA-N
XLogP1.97
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-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

4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 43340369
4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 62505239
1-methyl-4-(3-methylbenzoyl)pyrrole-2-carboxylic acid
CID 43340362
1-methyl-4-(3-propan-2-yloxybenzoyl)pyrrole-2-carboxylic acid
CID 62921507
4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 1489246
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
4-(3,5-dichlorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 43340367
1-methyl-4-(3,4,5-trifluorobenzoyl)pyrrole-2-carboxylic acid
CID 63187503
4-(3-fluoro-4-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 43340358
4-(5-bromo-2-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 65306190
(2,6-dimethoxyphenyl)-(2,3,4,6-tetramethylphenyl)methanone
CID 172752328
1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid
CID 66478199

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid (CID 43162043) is 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid is COc1cccc(OC)c1C(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is OZBWWTJIRWHYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-16-8-9(7-10(16)15(18)19)14(17)13-11(20-2)5-4-6-12(13)21-3/h4-8H,1-3H3,(H,18,19).
What are the key properties of 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid?
4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43162043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).