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

C23H19NO5 — CID 3402408

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccc(O)c1)c1ccco1
InChIInChI=1S/C23H19NO5/c25-17-9-4-8-16(14-17)20-19(21(26)18-10-5-13-29-18)22(27)23(28)24(20)12-11-15-6-2-1-3-7-15/h1-10,13-14,20,25,27H,11-12H2
InChIKeyPXEVIOMUPLFUMP-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.81
Rot. Bonds6

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

3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one (PubChem CID 3402408) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
PubChem CID3402408
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccc(O)c1)c1ccco1
InChIInChI=1S/C23H19NO5/c25-17-9-4-8-16(14-17)20-19(21(26)18-10-5-13-29-18)22(27)23(28)24(20)12-11-15-6-2-1-3-7-15/h1-10,13-14,20,25,27H,11-12H2
InChIKeyPXEVIOMUPLFUMP-UHFFFAOYSA-N
XLogP3.81
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3401787
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 3154115
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 2917899
(2S)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 1083217
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3401778
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1081145
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108647648
2-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4244716
3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 21008411
2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108694911
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 1155121
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
CID 4756624

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one (CID 3402408) is 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccc(O)c1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is PXEVIOMUPLFUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c25-17-9-4-8-16(14-17)20-19(21(26)18-10-5-13-29-18)22(27)23(28)24(20)12-11-15-6-2-1-3-7-15/h1-10,13-14,20,25,27H,11-12H2.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 389.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3402408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).