ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate

C19H17NO5 — CID 138403004

IUPACethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(O)cc1
InChIInChI=1S/C19H17NO5/c1-2-25-19(24)15-16(12-8-10-14(21)11-9-12)20(18(23)17(15)22)13-6-4-3-5-7-13/h3-11,16,21-22H,2H2,1H3
InChIKeyIXPPKVYDMRLZQL-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.86
Rot. Bonds4

About ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate

ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate (PubChem CID 138403004) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
PubChem CID138403004
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Nameethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(O)cc1
InChIInChI=1S/C19H17NO5/c1-2-25-19(24)15-16(12-8-10-14(21)11-9-12)20(18(23)17(15)22)13-6-4-3-5-7-13/h3-11,16,21-22H,2H2,1H3
InChIKeyIXPPKVYDMRLZQL-UHFFFAOYSA-N
XLogP2.86
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Acetyl-3-hydroxy-5-(4-methoxy-phenyl)-1-p-tolyl-1,5-dihydro-pyrrol-2-one
CID 2868511
ethyl 4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 54676164
ethyl 2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 54712652
4-acetyl-3-hydroxy-1-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3124167
4-acetyl-3-hydroxy-1-(4-hydroxyphenyl)-5-(2-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3124177
[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
CID 664665
ethyl 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)benzoate
CID 3119320
2-[acetyl-[(4-methoxyphenyl)methyl]amino]benzoic Acid
CID 2316984
4-acetyl-3-hydroxy-1-(4-hydroxyphenyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 2868775
4-Acetyl-3-hydroxy-1-(4-hydroxy-phenyl)-5-p-tolyl-1,5-dihydro-pyrrol-2-one
CID 3124166
3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 3124205
[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-hydroxybenzoate
CID 4193807

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate (CID 138403004) is ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(O)cc1.
What is the InChIKey of ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
The InChIKey is IXPPKVYDMRLZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-2-25-19(24)15-16(12-8-10-14(21)11-9-12)20(18(23)17(15)22)13-6-4-3-5-7-13/h3-11,16,21-22H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 138403004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).