3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one

C30H21NO5 — CID 108677135

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
SMILESCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2cccc3ccccc23)c1
InChIInChI=1S/C30H21NO5/c1-35-21-12-7-11-20(17-21)31-27(23-14-6-10-18-8-2-4-13-22(18)23)26(29(33)30(31)34)28(32)25-16-19-9-3-5-15-24(19)36-25/h2-17,27,33H,1H3
InChIKeyOCPIYKZHJUTZCD-UHFFFAOYSA-N
MW475.50 g/mol
LogP6.38
Rot. Bonds5

About 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one (PubChem CID 108677135) has the molecular formula C30H21NO5 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
PubChem CID108677135
Molecular FormulaC30H21NO5
Molecular Weight475.50 g/mol
Exact Mass475.14
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
SMILESCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2cccc3ccccc23)c1
InChIInChI=1S/C30H21NO5/c1-35-21-12-7-11-20(17-21)31-27(23-14-6-10-18-8-2-4-13-22(18)23)26(29(33)30(31)34)28(32)25-16-19-9-3-5-15-24(19)36-25/h2-17,27,33H,1H3
InChIKeyOCPIYKZHJUTZCD-UHFFFAOYSA-N
XLogP6.38
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108631931
3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108670699
3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108576998
4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-3-propanoyl-2H-pyrrol-5-one
CID 108677159
ethyl 3-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108699330
3-(1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108703518
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677525
methyl 3-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108667577
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677184
3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108644727
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-phenyl-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 108712554
methyl 3-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzoate
CID 108598620

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one (CID 108677135) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one is COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2cccc3ccccc23)c1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one?
The InChIKey is OCPIYKZHJUTZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO5/c1-35-21-12-7-11-20(17-21)31-27(23-14-6-10-18-8-2-4-13-22(18)23)26(29(33)30(31)34)28(32)25-16-19-9-3-5-15-24(19)36-25/h2-17,27,33H,1H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one has a molecular weight of 475.50 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108677135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).