3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid

C15H15NO7 — CID 24881648

IUPAC3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)[nH]c2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C15H15NO7/c1-21-10-4-7(5-11(22-2)13(10)23-3)8-6-9(14(17)18)16-12(8)15(19)20/h4-6,16H,1-3H3,(H,17,18)(H,19,20)
InChIKeyYWUZKBMTWWMMJC-UHFFFAOYSA-N
MW321.29 g/mol
LogP2.10
Rot. Bonds6

About 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid

3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid (PubChem CID 24881648) has the molecular formula C15H15NO7 and a molecular weight of 321.29 g/mol. Its IUPAC name is 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid
PubChem CID24881648
Molecular FormulaC15H15NO7
Molecular Weight321.29 g/mol
Exact Mass321.08
IUPAC Name3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)[nH]c2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C15H15NO7/c1-21-10-4-7(5-11(22-2)13(10)23-3)8-6-9(14(17)18)16-12(8)15(19)20/h4-6,16H,1-3H3,(H,17,18)(H,19,20)
InChIKeyYWUZKBMTWWMMJC-UHFFFAOYSA-N
XLogP2.10
TPSA118.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic 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-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
CID 55250200
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
3-(3-formyl-4,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442030
acetyl chloride;2,3-dimethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 87951473
methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102453349
6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
7-acetyl-4-methoxy-1H-indole-2-carboxylic acid
CID 12908193
4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690296
3-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117449674
(3,4,5-trimethoxybenzoyl)sulfonyl-(3,4,5-trimethoxyphenyl)methanone
CID 88824717
3-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117474676

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid?
The IUPAC name of 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid (CID 24881648) is 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid.
What is the SMILES notation for 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid?
The canonical SMILES for 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid is COc1cc(-c2cc(C(=O)O)[nH]c2C(=O)O)cc(OC)c1OC.
What is the InChIKey of 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid?
The InChIKey is YWUZKBMTWWMMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO7/c1-21-10-4-7(5-11(22-2)13(10)23-3)8-6-9(14(17)18)16-12(8)15(19)20/h4-6,16H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid?
3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid has a molecular weight of 321.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid is sourced from PubChem (CID 24881648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).