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

C26H27NO7 — CID 108614238

IUPAC4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2cc3cccc(OC)c3o2)=C(O)C(=O)N1CCOC(C)C
InChIInChI=1S/C26H27NO7/c1-15(2)33-13-12-27-22(17-9-5-6-10-18(17)31-3)21(24(29)26(27)30)23(28)20-14-16-8-7-11-19(32-4)25(16)34-20/h5-11,14-15,22,29H,12-13H2,1-4H3
InChIKeyYDUZDICXCIDPJO-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.45
Rot. Bonds9

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

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (PubChem CID 108614238) has the molecular formula C26H27NO7 and a molecular weight of 465.50 g/mol. Its IUPAC name is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
PubChem CID108614238
Molecular FormulaC26H27NO7
Molecular Weight465.50 g/mol
Exact Mass465.18
IUPAC Name4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2cc3cccc(OC)c3o2)=C(O)C(=O)N1CCOC(C)C
InChIInChI=1S/C26H27NO7/c1-15(2)33-13-12-27-22(17-9-5-6-10-18(17)31-3)21(24(29)26(27)30)23(28)20-14-16-8-7-11-19(32-4)25(16)34-20/h5-11,14-15,22,29H,12-13H2,1-4H3
InChIKeyYDUZDICXCIDPJO-UHFFFAOYSA-N
XLogP4.45
TPSA98.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108657853
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 4866250
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 3280950
2-(2,3-dimethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108580536
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108579783
1-butyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108652149
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4730179
2-(3-bromophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 2949573
2-(4-butoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 4866241
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108613168
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108721361
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-2-phenyl-2H-pyrrol-5-one
CID 108599258

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one (CID 108614238) is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)c2cc3cccc(OC)c3o2)=C(O)C(=O)N1CCOC(C)C.
What is the InChIKey of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
The InChIKey is YDUZDICXCIDPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO7/c1-15(2)33-13-12-27-22(17-9-5-6-10-18(17)31-3)21(24(29)26(27)30)23(28)20-14-16-8-7-11-19(32-4)25(16)34-20/h5-11,14-15,22,29H,12-13H2,1-4H3.
What are the key properties of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one?
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one has a molecular weight of 465.50 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108614238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).