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

C25H29NO5 — CID 108666217

IUPAC4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)C2c2cccc(OC)c2)c1
InChIInChI=1S/C25H29NO5/c1-5-12-31-20-11-7-9-18(15-20)26-23(17-8-6-10-19(14-17)30-4)22(24(28)25(26)29)21(27)13-16(2)3/h6-11,14-16,23,28H,5,12-13H2,1-4H3
InChIKeyBVUQNZLALFHZIJ-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.00
Rot. Bonds9

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

4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108666217) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID108666217
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)C2c2cccc(OC)c2)c1
InChIInChI=1S/C25H29NO5/c1-5-12-31-20-11-7-9-18(15-20)26-23(17-8-6-10-19(14-17)30-4)22(24(28)25(26)29)21(27)13-16(2)3/h6-11,14-16,23,28H,5,12-13H2,1-4H3
InChIKeyBVUQNZLALFHZIJ-UHFFFAOYSA-N
XLogP5.00
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108721171
ethyl 3-[4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108699357
4-hydroxy-1-(4-methoxyphenyl)-3-(2-methylpropanoyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108688953
4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 108712581
4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-pentyl-2H-pyrrol-5-one
CID 108613971
4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108667167
1-(3,4-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108671509
methyl 3-[4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108665703
1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577544
N-[3-[4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108666130
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108647473
3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 134115145

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one (CID 108666217) is 4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)C2c2cccc(OC)c2)c1.
What is the InChIKey of 4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is BVUQNZLALFHZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-5-12-31-20-11-7-9-18(15-20)26-23(17-8-6-10-19(14-17)30-4)22(24(28)25(26)29)21(27)13-16(2)3/h6-11,14-16,23,28H,5,12-13H2,1-4H3.
What are the key properties of 4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 423.51 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108666217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).