2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid

C14H15NO3 — CID 82362615

IUPAC2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid
SMILESCCc1c(C(=O)O)ccn1-c1ccc(O)cc1C
InChIInChI=1S/C14H15NO3/c1-3-12-11(14(17)18)6-7-15(12)13-5-4-10(16)8-9(13)2/h4-8,16H,3H2,1-2H3,(H,17,18)
InChIKeyYCLYNAOCOIFQBD-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.75
Rot. Bonds3

About 2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid

2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid (PubChem CID 82362615) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid
PubChem CID82362615
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid
SMILESCCc1c(C(=O)O)ccn1-c1ccc(O)cc1C
InChIInChI=1S/C14H15NO3/c1-3-12-11(14(17)18)6-7-15(12)13-5-4-10(16)8-9(13)2/h4-8,16H,3H2,1-2H3,(H,17,18)
InChIKeyYCLYNAOCOIFQBD-UHFFFAOYSA-N
XLogP2.75
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-ethylpyrrole-3-carboxylic acid
CID 82362599
1-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrole-3-carboxylic acid
CID 82362623
2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
CID 70039080
6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 14010769
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid
CID 82361555
3-[1-(4-hydroxy-2-methylphenyl)-4-oxo-2-pyridinyl]prop-2-enoic acid
CID 57317967
1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82294247
1-(carboxymethyl)-2-ethylpyrrole-3-carboxylic acid
CID 84755749
2-ethyl-1-(4-thiocyanatophenyl)pyrrole-3-carboxylic acid
CID 82362657
3-methyl-4-(2-methylimidazol-1-yl)phenol
CID 65313636
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid?
The IUPAC name of 2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid (CID 82362615) is 2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid is CCc1c(C(=O)O)ccn1-c1ccc(O)cc1C.
What is the InChIKey of 2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid?
The InChIKey is YCLYNAOCOIFQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-12-11(14(17)18)6-7-15(12)13-5-4-10(16)8-9(13)2/h4-8,16H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid?
2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 82362615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).