4-methyl-2-(1H-pyrrol-2-yl)benzoic acid

C12H11NO2 — CID 103341539

IUPAC4-methyl-2-(1H-pyrrol-2-yl)benzoic acid
SMILESCc1ccc(C(=O)O)c(-c2ccc[nH]2)c1
InChIInChI=1S/C12H11NO2/c1-8-4-5-9(12(14)15)10(7-8)11-3-2-6-13-11/h2-7,13H,1H3,(H,14,15)
InChIKeyGWHSDYCYNKDRMJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.69
Rot. Bonds2

About 4-methyl-2-(1H-pyrrol-2-yl)benzoic acid

4-methyl-2-(1H-pyrrol-2-yl)benzoic acid (PubChem CID 103341539) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-methyl-2-(1H-pyrrol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-methyl-2-(1H-pyrrol-2-yl)benzoic acid
PubChem CID103341539
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-methyl-2-(1H-pyrrol-2-yl)benzoic acid
SMILESCc1ccc(C(=O)O)c(-c2ccc[nH]2)c1
InChIInChI=1S/C12H11NO2/c1-8-4-5-9(12(14)15)10(7-8)11-3-2-6-13-11/h2-7,13H,1H3,(H,14,15)
InChIKeyGWHSDYCYNKDRMJ-UHFFFAOYSA-N
XLogP2.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol
CID 11217685
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
4-amino-2-(2,5-dimethylphenyl)benzoic acid
CID 82292983
2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid
CID 82388017
6-methylnaphthalene-1,4-dicarboxylic acid
CID 23139708
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2-carboxy-5-methylphenolate
CID 54675829
2-iodo-4-methylbenzoic acid
CID 4285392
4-methyl-2-(1-methylpyrazol-3-yl)benzoic acid
CID 103131531
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 136984590
2-(2-cyclobutylphenyl)-4-methylbenzoic acid
CID 114605088

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1H-pyrrol-2-yl)benzoic acid?
The IUPAC name of 4-methyl-2-(1H-pyrrol-2-yl)benzoic acid (CID 103341539) is 4-methyl-2-(1H-pyrrol-2-yl)benzoic acid.
What is the SMILES notation for 4-methyl-2-(1H-pyrrol-2-yl)benzoic acid?
The canonical SMILES for 4-methyl-2-(1H-pyrrol-2-yl)benzoic acid is Cc1ccc(C(=O)O)c(-c2ccc[nH]2)c1.
What is the InChIKey of 4-methyl-2-(1H-pyrrol-2-yl)benzoic acid?
The InChIKey is GWHSDYCYNKDRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-4-5-9(12(14)15)10(7-8)11-3-2-6-13-11/h2-7,13H,1H3,(H,14,15).
What are the key properties of 4-methyl-2-(1H-pyrrol-2-yl)benzoic acid?
4-methyl-2-(1H-pyrrol-2-yl)benzoic acid has a molecular weight of 201.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1H-pyrrol-2-yl)benzoic acid is sourced from PubChem (CID 103341539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).