4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid

C13H11NO4 — CID 2764444

IUPAC4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc(C(=O)c2c[nH]c(C(=O)O)c2)cc1
InChIInChI=1S/C13H11NO4/c1-18-10-4-2-8(3-5-10)12(15)9-6-11(13(16)17)14-7-9/h2-7,14H,1H3,(H,16,17)
InChIKeyLWMMMKLOIMOKBF-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.95
Rot. Bonds4

About 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid

4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 2764444) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID2764444
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc(C(=O)c2c[nH]c(C(=O)O)c2)cc1
InChIInChI=1S/C13H11NO4/c1-18-10-4-2-8(3-5-10)12(15)9-6-11(13(16)17)14-7-9/h2-7,14H,1H3,(H,16,17)
InChIKeyLWMMMKLOIMOKBF-UHFFFAOYSA-N
XLogP1.95
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxybenzoyl)-1H-pyrrole-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)-1H-pyrrole-2-carboxylic acid
CID 2764442
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 3754901
4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 115353710
4-(3-fluoro-4-methylbenzoyl)-1H-pyrrole-2-carboxylic acid
CID 43340300
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
4-(3-bromobenzoyl)-1H-pyrrole-2-carboxylic acid
CID 18526081
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid (CID 2764444) is 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid is COc1ccc(C(=O)c2c[nH]c(C(=O)O)c2)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is LWMMMKLOIMOKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-18-10-4-2-8(3-5-10)12(15)9-6-11(13(16)17)14-7-9/h2-7,14H,1H3,(H,16,17).
What are the key properties of 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid?
4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 2764444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).