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

C28H23NO6 — CID 108576223

IUPAC4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C28H23NO6/c1-16-7-11-19(12-8-16)29-24(17-9-13-20(33-2)14-10-17)23(26(31)28(29)32)25(30)22-15-18-5-4-6-21(34-3)27(18)35-22/h4-15,24,31H,1-3H3
InChIKeyBRRSCHLYTHQRMD-UHFFFAOYSA-N
MW469.49 g/mol
LogP5.54
Rot. Bonds6

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

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108576223) has the molecular formula C28H23NO6 and a molecular weight of 469.49 g/mol. Its IUPAC name is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID108576223
Molecular FormulaC28H23NO6
Molecular Weight469.49 g/mol
Exact Mass469.15
IUPAC Name4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C28H23NO6/c1-16-7-11-19(12-8-16)29-24(17-9-13-20(33-2)14-10-17)23(26(31)28(29)32)25(30)22-15-18-5-4-6-21(34-3)27(18)35-22/h4-15,24,31H,1-3H3
InChIKeyBRRSCHLYTHQRMD-UHFFFAOYSA-N
XLogP5.54
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108575793
2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108703909
1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108638141
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108645024
1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108618657
2-(4-tert-butylphenyl)-1-(4-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108718320
2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-phenyl-2H-pyrrol-5-one
CID 108649237
1-(4-chlorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633351
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methylphenyl)-1-(4-pyrrolidin-1-ylphenyl)-2H-pyrrol-5-one
CID 108669873
methyl 4-[2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108683418
1-(3,4-dichlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108669091
1-(4-butylphenyl)-2-(4-ethylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108683331

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one (CID 108576223) is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is BRRSCHLYTHQRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO6/c1-16-7-11-19(12-8-16)29-24(17-9-13-20(33-2)14-10-17)23(26(31)28(29)32)25(30)22-15-18-5-4-6-21(34-3)27(18)35-22/h4-15,24,31H,1-3H3.
What are the key properties of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one?
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 469.49 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108576223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).