2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

C23H24ClNO4 — CID 108641373

IUPAC2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCOCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClNO4/c1-29-15-5-14-25-21(17-9-11-18(24)12-10-17)20(22(27)23(25)28)19(26)13-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,21,27H,5,8,13-15H2,1H3
InChIKeyDVIBYEBWYNEMMC-UHFFFAOYSA-N
MW413.90 g/mol
LogP4.27
Rot. Bonds9

About 2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108641373) has the molecular formula C23H24ClNO4 and a molecular weight of 413.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
PubChem CID108641373
Molecular FormulaC23H24ClNO4
Molecular Weight413.90 g/mol
Exact Mass413.14
IUPAC Name2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCOCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClNO4/c1-29-15-5-14-25-21(17-9-11-18(24)12-10-17)20(22(27)23(25)28)19(26)13-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,21,27H,5,8,13-15H2,1H3
InChIKeyDVIBYEBWYNEMMC-UHFFFAOYSA-N
XLogP4.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-(3-methoxypropyl)-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108640302
2-(4-chlorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108599952
4-hydroxy-1-(3-methoxypropyl)-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108619786
(2R)-1-benzyl-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 981020
4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108585927
2-(4-butoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-1-propyl-2H-pyrrol-5-one
CID 108636288
3-(1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 5164311
(2S)-2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7182545
1-[3-(dimethylamino)propyl]-4-hydroxy-3-(3-phenylpropanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108602452
4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 3259346
4-hydroxy-3-(3-phenylpropanoyl)-1-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702805
4-hydroxy-3-(3-phenylpropanoyl)-1-(3-propan-2-yloxypropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631711

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (CID 108641373) is 2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is COCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is DVIBYEBWYNEMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO4/c1-29-15-5-14-25-21(17-9-11-18(24)12-10-17)20(22(27)23(25)28)19(26)13-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,21,27H,5,8,13-15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 413.90 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108641373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).