1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

C25H19Cl2NO4 — CID 108681764

IUPAC1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1c1cccc(O)c1
InChIInChI=1S/C25H19Cl2NO4/c26-19-11-10-17(14-20(19)27)28-23(16-7-4-8-18(29)13-16)22(24(31)25(28)32)21(30)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14,23,29,31H,9,12H2
InChIKeyJQDVIBQHJKENCV-UHFFFAOYSA-N
MW468.34 g/mol
LogP5.80
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108681764) has the molecular formula C25H19Cl2NO4 and a molecular weight of 468.34 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
PubChem CID108681764
Molecular FormulaC25H19Cl2NO4
Molecular Weight468.34 g/mol
Exact Mass467.07
IUPAC Name1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1c1cccc(O)c1
InChIInChI=1S/C25H19Cl2NO4/c26-19-11-10-17(14-20(19)27)28-23(16-7-4-8-18(29)13-16)22(24(31)25(28)32)21(30)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14,23,29,31H,9,12H2
InChIKeyJQDVIBQHJKENCV-UHFFFAOYSA-N
XLogP5.80
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(3-hydroxyphenyl)-1-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647487
1-(4-fluorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647226
1-(3-chloro-4-methylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593829
4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108637636
1-(3-chloro-4-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589396
1-(3-fluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108616407
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108647903
4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108713185
4-[4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-1-yl]benzenesulfonamide
CID 108699545
1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108575965
1-(4-ethylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629256
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108647473

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (CID 108681764) is 1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1c1cccc(O)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is JQDVIBQHJKENCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO4/c26-19-11-10-17(14-20(19)27)28-23(16-7-4-8-18(29)13-16)22(24(31)25(28)32)21(30)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14,23,29,31H,9,12H2.
What are the key properties of 1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 468.34 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108681764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).