4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one

C22H23NO5 — CID 108579072

IUPAC4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccccc1O
InChIInChI=1S/C22H23NO5/c1-13(2)12-17(25)19-20(14-8-4-7-11-18(14)28-3)23(22(27)21(19)26)15-9-5-6-10-16(15)24/h4-11,13,20,24,26H,12H2,1-3H3
InChIKeyJIYIIHXGUWYJNK-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.92
Rot. Bonds6

About 4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one

4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one (PubChem CID 108579072) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
PubChem CID108579072
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccccc1O
InChIInChI=1S/C22H23NO5/c1-13(2)12-17(25)19-20(14-8-4-7-11-18(14)28-3)23(22(27)21(19)26)15-9-5-6-10-16(15)24/h4-11,13,20,24,26H,12H2,1-3H3
InChIKeyJIYIIHXGUWYJNK-UHFFFAOYSA-N
XLogP3.92
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108578726
4-hydroxy-2-(4-hydroxyphenyl)-1-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108582777
4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108667858
4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108579014
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108647386
4-hydroxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[(1-phenylcyclopentyl)methyl]-2H-pyrrol-5-one
CID 43859832
2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108580522
1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108638815
4-hydroxy-3-(3-methylbutanoyl)-1-(2-methylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626900
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108614301
(2R)-3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 780391
2-(2-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108645008

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one (CID 108579072) is 4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccccc1O.
What is the InChIKey of 4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The InChIKey is JIYIIHXGUWYJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-13(2)12-17(25)19-20(14-8-4-7-11-18(14)28-3)23(22(27)21(19)26)15-9-5-6-10-16(15)24/h4-11,13,20,24,26H,12H2,1-3H3.
What are the key properties of 4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one has a molecular weight of 381.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108579072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).