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

C24H21NO5 — CID 108606657

IUPAC1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccc2C)cc1
InChIInChI=1S/C24H21NO5/c1-3-29-17-12-10-16(11-13-17)25-21(18-8-5-4-7-15(18)2)20(23(27)24(25)28)22(26)19-9-6-14-30-19/h4-14,21,27H,3H2,1-2H3
InChIKeyWTKZMEWEAWXMME-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.77
Rot. Bonds6

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

1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108606657) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
PubChem CID108606657
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccc2C)cc1
InChIInChI=1S/C24H21NO5/c1-3-29-17-12-10-16(11-13-17)25-21(18-8-5-4-7-15(18)2)20(23(27)24(25)28)22(26)19-9-6-14-30-19/h4-14,21,27H,3H2,1-2H3
InChIKeyWTKZMEWEAWXMME-UHFFFAOYSA-N
XLogP4.77
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-4-hydroxy-2-(2-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108606670
2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108594860
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597781
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108680881
[4-[1-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]phenyl] acetate
CID 108687653
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
CID 108681577
3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108654383
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108576467
3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584255
3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108659143
1-(4-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589470
3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 3835066

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one (CID 108606657) is 1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one is CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is WTKZMEWEAWXMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-3-29-17-12-10-16(11-13-17)25-21(18-8-5-4-7-15(18)2)20(23(27)24(25)28)22(26)19-9-6-14-30-19/h4-14,21,27H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 403.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108606657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).