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

C23H19NO4S — CID 108584631

IUPAC4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)ccc2O)c1
InChIInChI=1S/C23H19NO4S/c1-13-5-3-6-15(11-13)20-19(21(26)18-7-4-10-29-18)22(27)23(28)24(20)16-12-14(2)8-9-17(16)25/h3-12,20,25,27H,1-2H3
InChIKeyXRMWYWPKXOKFQQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.85
Rot. Bonds4

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

4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108584631) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108584631
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)ccc2O)c1
InChIInChI=1S/C23H19NO4S/c1-13-5-3-6-15(11-13)20-19(21(26)18-7-4-10-29-18)22(27)23(28)24(20)16-12-14(2)8-9-17(16)25/h3-12,20,25,27H,1-2H3
InChIKeyXRMWYWPKXOKFQQ-UHFFFAOYSA-N
XLogP4.85
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108618757
1-(4-fluorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108618583
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108647328
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584704
4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108658214
4-hydroxy-1-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108585066
4-hydroxy-2-(4-methylphenyl)-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2891577
1-(4-chlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108605032
4-hydroxy-1-(4-methylphenyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108626407
(2S)-4-hydroxy-2-(3-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037363
4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108579014
methyl 2-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 40821257

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108584631) is 4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is Cc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)ccc2O)c1.
What is the InChIKey of 4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is XRMWYWPKXOKFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-13-5-3-6-15(11-13)20-19(21(26)18-7-4-10-29-18)22(27)23(28)24(20)16-12-14(2)8-9-17(16)25/h3-12,20,25,27H,1-2H3.
What are the key properties of 4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 405.48 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108584631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).