ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate

C15H17NO3 — CID 18625802

IUPACethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)n1cccc1
InChIInChI=1S/C15H17NO3/c1-2-19-15(18)14(16-9-3-4-10-16)11-12-5-7-13(17)8-6-12/h3-10,14,17H,2,11H2,1H3
InChIKeyOSADYDJUPTXYKV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.54
Rot. Bonds5

About ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate

ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate (PubChem CID 18625802) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate
PubChem CID18625802
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)n1cccc1
InChIInChI=1S/C15H17NO3/c1-2-19-15(18)14(16-9-3-4-10-16)11-12-5-7-13(17)8-6-12/h3-10,14,17H,2,11H2,1H3
InChIKeyOSADYDJUPTXYKV-UHFFFAOYSA-N
XLogP2.54
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 1-[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrole-3,4-dicarboxylate
CID 101478667
ethyl 3-amino-2-[(4-hydroxyphenyl)methyl]-3-oxopropanoate
CID 121013946
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
methyl (2S)-3-(4-prop-2-enoxyphenyl)-2-pyrrol-1-ylpropanoate
CID 102183908
ethyl (2S)-5-oxo-2-pyrrol-1-ylpentanoate
CID 11241251
ethyl 2-amino-3-(4-pyrrol-1-ylphenyl)propanoate
CID 170884995
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594
ethyl (2S)-2-amino-3-(4-pyrrol-1-ylphenyl)propanoate
CID 91576121
ethyl 3-(4-hydroxyphenyl)-2-[(2-iodoacetyl)amino]propanoate
CID 168727157
ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 18468105
ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
CID 115494377
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate?
The IUPAC name of ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate (CID 18625802) is ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate.
What is the SMILES notation for ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate?
The canonical SMILES for ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate is CCOC(=O)C(Cc1ccc(O)cc1)n1cccc1.
What is the InChIKey of ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate?
The InChIKey is OSADYDJUPTXYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-19-15(18)14(16-9-3-4-10-16)11-12-5-7-13(17)8-6-12/h3-10,14,17H,2,11H2,1H3.
What are the key properties of ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate?
ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate has a molecular weight of 259.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate is sourced from PubChem (CID 18625802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).