1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid

C15H16ClNO3 — CID 82362623

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid
SMILESCCc1c(C(=O)O)ccn1-c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C15H16ClNO3/c1-4-12-10(15(18)19)5-6-17(12)13-7-9(2)11(16)8-14(13)20-3/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyGEVLJPDMMAVHEJ-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.71
Rot. Bonds4

About 1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid

1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid (PubChem CID 82362623) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid
PubChem CID82362623
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid
SMILESCCc1c(C(=O)O)ccn1-c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C15H16ClNO3/c1-4-12-10(15(18)19)5-6-17(12)13-7-9(2)11(16)8-14(13)20-3/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyGEVLJPDMMAVHEJ-UHFFFAOYSA-N
XLogP3.71
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid
CID 82362615
1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113080639
1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 113080603
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197582
1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 94288870
3-(4-chloro-2-methoxy-5-methylanilino)-2,2-dimethylpropanoic acid
CID 79628845
3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole
CID 63384620
5-[(4-chloro-2-methoxy-5-methylanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630567
2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one
CID 82089400
4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110926
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol
CID 82197565

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid (CID 82362623) is 1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid is CCc1c(C(=O)O)ccn1-c1cc(C)c(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid?
The InChIKey is GEVLJPDMMAVHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-4-12-10(15(18)19)5-6-17(12)13-7-9(2)11(16)8-14(13)20-3/h5-8H,4H2,1-3H3,(H,18,19).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid?
1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid is sourced from PubChem (CID 82362623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).