2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one

C30H27NO5 — CID 4730197

IUPAC2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C30H27NO5/c1-3-19-12-14-21(15-13-19)26-25(27(32)24-18-22-10-7-11-23(35-2)29(22)36-24)28(33)30(34)31(26)17-16-20-8-5-4-6-9-20/h4-15,18,26,33H,3,16-17H2,1-2H3
InChIKeyVOZHEHOQAOLJGK-UHFFFAOYSA-N
MW481.55 g/mol
LogP5.82
Rot. Bonds8

About 2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one

2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one (PubChem CID 4730197) has the molecular formula C30H27NO5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
PubChem CID4730197
Molecular FormulaC30H27NO5
Molecular Weight481.55 g/mol
Exact Mass481.19
IUPAC Name2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C30H27NO5/c1-3-19-12-14-21(15-13-19)26-25(27(32)24-18-22-10-7-11-23(35-2)29(22)36-24)28(33)30(34)31(26)17-16-20-8-5-4-6-9-20/h4-15,18,26,33H,3,16-17H2,1-2H3
InChIKeyVOZHEHOQAOLJGK-UHFFFAOYSA-N
XLogP5.82
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4730179
methyl 4-[4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-1-(2-phenylethyl)-2H-pyrrol-2-yl]benzoate
CID 4730210
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-2-phenyl-2H-pyrrol-5-one
CID 108599258
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 4730200
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4730207
2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-phenyl-2H-pyrrol-5-one
CID 108649237
4-hydroxy-2-(4-hydroxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pentyl-2H-pyrrol-5-one
CID 108617889
1-(4-butylphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108683331
2-(4-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-propyl-2H-pyrrol-5-one
CID 108635777
1-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108575793
1-butyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 44865236
1-butyl-4-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108664014

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one (CID 4730197) is 2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one is CCc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is VOZHEHOQAOLJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO5/c1-3-19-12-14-21(15-13-19)26-25(27(32)24-18-22-10-7-11-23(35-2)29(22)36-24)28(33)30(34)31(26)17-16-20-8-5-4-6-9-20/h4-15,18,26,33H,3,16-17H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 481.55 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4730197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).