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

C22H17NO5 — CID 108616568

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(O)cc2)c1
InChIInChI=1S/C22H17NO5/c1-13-4-2-5-15(12-13)23-19(14-7-9-16(24)10-8-14)18(21(26)22(23)27)20(25)17-6-3-11-28-17/h2-12,19,24,26H,1H3
InChIKeyCWYSHDDTHZWLFK-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.08
Rot. Bonds4

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

3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108616568) has the molecular formula C22H17NO5 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
PubChem CID108616568
Molecular FormulaC22H17NO5
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(O)cc2)c1
InChIInChI=1S/C22H17NO5/c1-13-4-2-5-15(12-13)23-19(14-7-9-16(24)10-8-14)18(21(26)22(23)27)20(25)17-6-3-11-28-17/h2-12,19,24,26H,1H3
InChIKeyCWYSHDDTHZWLFK-UHFFFAOYSA-N
XLogP4.08
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108594860
3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108582865
1-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584429
3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584255
1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108678293
2-(4-chlorophenyl)-1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108600026
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108670553
1-(3-chloro-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108670032
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008455
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597781
1-(2,5-dimethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638729
1-(2,4-dimethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108639407

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one (CID 108616568) is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one is Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(O)cc2)c1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is CWYSHDDTHZWLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5/c1-13-4-2-5-15(12-13)23-19(14-7-9-16(24)10-8-14)18(21(26)22(23)27)20(25)17-6-3-11-28-17/h2-12,19,24,26H,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 375.38 g/mol, XLogP of 4.08, 4 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-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108616568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).