4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C21H15NO5S — CID 108647328

IUPAC4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccccc2O)C1c1cccc(O)c1)c1cccs1
InChIInChI=1S/C21H15NO5S/c23-13-6-3-5-12(11-13)18-17(19(25)16-9-4-10-28-16)20(26)21(27)22(18)14-7-1-2-8-15(14)24/h1-11,18,23-24,26H
InChIKeyIVHFVSUWPCLKOH-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.94
Rot. Bonds4

About 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108647328) has the molecular formula C21H15NO5S and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108647328
Molecular FormulaC21H15NO5S
Molecular Weight393.42 g/mol
Exact Mass393.07
IUPAC Name4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccccc2O)C1c1cccc(O)c1)c1cccs1
InChIInChI=1S/C21H15NO5S/c23-13-6-3-5-12(11-13)18-17(19(25)16-9-4-10-28-16)20(26)21(27)22(18)14-7-1-2-8-15(14)24/h1-11,18,23-24,26H
InChIKeyIVHFVSUWPCLKOH-UHFFFAOYSA-N
XLogP3.94
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108618757
1-(4-chlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108605032
4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108584631
(2S)-4-hydroxy-2-(3-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037363
1-benzyl-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4120170
4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108579014
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108647359
4-hydroxy-1-(2-hydroxyphenyl)-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108603727
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108647386
1-(4-fluorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108618583
(2R)-2-(3-bromophenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037370
(2S)-2-(3-bromophenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037371

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108647328) is 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccccc2O)C1c1cccc(O)c1)c1cccs1.
What is the InChIKey of 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is IVHFVSUWPCLKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5S/c23-13-6-3-5-12(11-13)18-17(19(25)16-9-4-10-28-16)20(26)21(27)22(18)14-7-1-2-8-15(14)24/h1-11,18,23-24,26H.
What are the key properties of 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 393.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108647328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).