5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid

C14H15NO3 — CID 82085728

IUPAC5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
SMILESCOc1ccc(C)cc1-c1ccc(C(=O)O)n1C
InChIInChI=1S/C14H15NO3/c1-9-4-7-13(18-3)10(8-9)11-5-6-12(14(16)17)15(11)2/h4-8H,1-3H3,(H,16,17)
InChIKeyROMOJHFPXAIUOG-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.71
Rot. Bonds3

About 5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid

5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 82085728) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID82085728
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
SMILESCOc1ccc(C)cc1-c1ccc(C(=O)O)n1C
InChIInChI=1S/C14H15NO3/c1-9-4-7-13(18-3)10(8-9)11-5-6-12(14(16)17)15(11)2/h4-8H,1-3H3,(H,16,17)
InChIKeyROMOJHFPXAIUOG-UHFFFAOYSA-N
XLogP2.71
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-2-methoxyphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82095064
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773
3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
CID 82517476
5-(3-bromo-4-methoxyphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82095061
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid
CID 82086061
5-(7-methoxy-1H-indol-3-yl)-1-methylpyrrole-2-carboxylic acid
CID 115110289
4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 62505239
4-(2-methoxy-5-methylphenyl)-3-methyl-1H-imidazole-2-thione
CID 130209666
3-(2-methoxy-5-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 82390676
4-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336762
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid (CID 82085728) is 5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid is COc1ccc(C)cc1-c1ccc(C(=O)O)n1C.
What is the InChIKey of 5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is ROMOJHFPXAIUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-4-7-13(18-3)10(8-9)11-5-6-12(14(16)17)15(11)2/h4-8H,1-3H3,(H,16,17).
What are the key properties of 5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid?
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 82085728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).