3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one

C23H19NO5 — CID 108584255

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccc(C)c2)cc1
InChIInChI=1S/C23H19NO5/c1-14-5-3-6-15(13-14)20-19(21(25)18-7-4-12-29-18)22(26)23(27)24(20)16-8-10-17(28-2)11-9-16/h3-13,20,26H,1-2H3
InChIKeyVKZIUTUBWVEWEE-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.38
Rot. Bonds5

About 3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108584255) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
PubChem CID108584255
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccc(C)c2)cc1
InChIInChI=1S/C23H19NO5/c1-14-5-3-6-15(13-14)20-19(21(25)18-7-4-12-29-18)22(26)23(27)24(20)16-8-10-17(28-2)11-9-16/h3-13,20,26H,1-2H3
InChIKeyVKZIUTUBWVEWEE-UHFFFAOYSA-N
XLogP4.38
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584429
1-(3-chloro-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108670032
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108670553
1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108577113
methyl 4-[3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108666566
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
CID 108699097
1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108666044
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584249
2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108594860
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108616568
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108576467
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
CID 108681577

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one (CID 108584255) is 3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one is COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccc(C)c2)cc1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is VKZIUTUBWVEWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-14-5-3-6-15(13-14)20-19(21(25)18-7-4-12-29-18)22(26)23(27)24(20)16-8-10-17(28-2)11-9-16/h3-13,20,26H,1-2H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 389.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108584255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).