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

C22H17NO6 — CID 108582865

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(O)cc2)c1
InChIInChI=1S/C22H17NO6/c1-12-4-9-16(25)15(11-12)23-19(13-5-7-14(24)8-6-13)18(21(27)22(23)28)20(26)17-3-2-10-29-17/h2-11,19,24-25,27H,1H3
InChIKeyGOXJKTCOYINCQQ-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.78
Rot. Bonds4

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

3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one (PubChem CID 108582865) has the molecular formula C22H17NO6 and a molecular weight of 391.38 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
PubChem CID108582865
Molecular FormulaC22H17NO6
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(O)cc2)c1
InChIInChI=1S/C22H17NO6/c1-12-4-9-16(25)15(11-12)23-19(13-5-7-14(24)8-6-13)18(21(27)22(23)28)20(26)17-3-2-10-29-17/h2-11,19,24-25,27H,1H3
InChIKeyGOXJKTCOYINCQQ-UHFFFAOYSA-N
XLogP3.78
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633684
1-(2,5-dimethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638729
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108616568
1-(2,4-dimethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108639407
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108647648
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108576467
2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108581182
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108655341
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 97037413
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639337
2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108594860
1-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584429

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one (CID 108582865) is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one is Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(O)cc2)c1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The InChIKey is GOXJKTCOYINCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO6/c1-12-4-9-16(25)15(11-12)23-19(13-5-7-14(24)8-6-13)18(21(27)22(23)28)20(26)17-3-2-10-29-17/h2-11,19,24-25,27H,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one has a molecular weight of 391.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108582865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).