3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one

C25H25NO6 — CID 108613168

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC(C)C)c1
InChIInChI=1S/C25H25NO6/c1-15(2)31-12-11-26-22(17-8-6-9-18(13-17)30-3)21(24(28)25(26)29)23(27)20-14-16-7-4-5-10-19(16)32-20/h4-10,13-15,22,28H,11-12H2,1-3H3
InChIKeyJTEZPOYTIMPLLF-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.44
Rot. Bonds8

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

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (PubChem CID 108613168) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
PubChem CID108613168
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC(C)C)c1
InChIInChI=1S/C25H25NO6/c1-15(2)31-12-11-26-22(17-8-6-9-18(13-17)30-3)21(24(28)25(26)29)23(27)20-14-16-7-4-5-10-19(16)32-20/h4-10,13-15,22,28H,11-12H2,1-3H3
InChIKeyJTEZPOYTIMPLLF-UHFFFAOYSA-N
XLogP4.44
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 40637989
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-[(3-propan-2-yloxyphenyl)methyl]-2H-pyrrol-5-one
CID 108699939
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108721492
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-propan-2-yloxyethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108601956
4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108613192
3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 3492925
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603410
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 5156087
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
CID 108694195
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108721624
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108664719
3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108656950

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (CID 108613168) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is COc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC(C)C)c1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The InChIKey is JTEZPOYTIMPLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-15(2)31-12-11-26-22(17-8-6-9-18(13-17)30-3)21(24(28)25(26)29)23(27)20-14-16-7-4-5-10-19(16)32-20/h4-10,13-15,22,28H,11-12H2,1-3H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one has a molecular weight of 435.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108613168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).