4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid

C15H17NO3 — CID 57435133

IUPAC4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc(CCc2cc(C(=O)O)[nH]c2C)cc1
InChIInChI=1S/C15H17NO3/c1-10-12(9-14(16-10)15(17)18)6-3-11-4-7-13(19-2)8-5-11/h4-5,7-9,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyHINFWENEIMZXAT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.82
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid

4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 57435133) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID57435133
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc(CCc2cc(C(=O)O)[nH]c2C)cc1
InChIInChI=1S/C15H17NO3/c1-10-12(9-14(16-10)15(17)18)6-3-11-4-7-13(19-2)8-5-11/h4-5,7-9,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyHINFWENEIMZXAT-UHFFFAOYSA-N
XLogP2.82
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-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

5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
4-[2-[3-[2-(4-carboxyphenyl)ethyl]-5-methoxyphenyl]ethyl]benzoic acid
CID 171715372
5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
4-(4-methoxyphenyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 83650239
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione
CID 172869663
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766148
methyl 3,4-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]-2-methylbenzoate
CID 175431857
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(3,5-dimethoxyphenyl)ethane-1,2-dione
CID 172869661

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid (CID 57435133) is 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid is COc1ccc(CCc2cc(C(=O)O)[nH]c2C)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is HINFWENEIMZXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-12(9-14(16-10)15(17)18)6-3-11-4-7-13(19-2)8-5-11/h4-5,7-9,16H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid?
4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 57435133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).