3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one

C25H17NO6 — CID 108647359

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccccc2O)C1c1cccc(O)c1)c1cc2ccccc2o1
InChIInChI=1S/C25H17NO6/c27-16-8-5-7-15(12-16)22-21(23(29)20-13-14-6-1-4-11-19(14)32-20)24(30)25(31)26(22)17-9-2-3-10-18(17)28/h1-13,22,27-28,30H
InChIKeyFPFBNRSIXXGAMT-UHFFFAOYSA-N
MW427.41 g/mol
LogP4.63
Rot. Bonds4

About 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (PubChem CID 108647359) has the molecular formula C25H17NO6 and a molecular weight of 427.41 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
PubChem CID108647359
Molecular FormulaC25H17NO6
Molecular Weight427.41 g/mol
Exact Mass427.11
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccccc2O)C1c1cccc(O)c1)c1cc2ccccc2o1
InChIInChI=1S/C25H17NO6/c27-16-8-5-7-15(12-16)22-21(23(29)20-13-14-6-1-4-11-19(14)32-20)24(30)25(31)26(22)17-9-2-3-10-18(17)28/h1-13,22,27-28,30H
InChIKeyFPFBNRSIXXGAMT-UHFFFAOYSA-N
XLogP4.63
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108682244
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108647665
3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108681462
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-pentyl-2H-pyrrol-5-one
CID 108648601
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1,2-bis(3-methylphenyl)-2H-pyrrol-5-one
CID 108618701
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 3412873
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108616714
3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-naphthalen-1-yl-2H-pyrrol-5-one
CID 108718623
4-hydroxy-1-(2-hydroxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108638487
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-naphthalen-1-yl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589876
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108647328
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-phenyl-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 108712554

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (CID 108647359) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccccc2O)C1c1cccc(O)c1)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
The InChIKey is FPFBNRSIXXGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO6/c27-16-8-5-7-15(12-16)22-21(23(29)20-13-14-6-1-4-11-19(14)32-20)24(30)25(31)26(22)17-9-2-3-10-18(17)28/h1-13,22,27-28,30H.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one has a molecular weight of 427.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108647359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).