2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C18H16ClNO4S — CID 108637228

IUPAC2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H16ClNO4S/c1-2-7-20-15(10-5-6-12(21)11(19)9-10)14(17(23)18(20)24)16(22)13-4-3-8-25-13/h3-6,8-9,15,21,23H,2,7H2,1H3
InChIKeyHYLIBOJCWHKZPH-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.10
Rot. Bonds5

About 2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108637228) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108637228
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H16ClNO4S/c1-2-7-20-15(10-5-6-12(21)11(19)9-10)14(17(23)18(20)24)16(22)13-4-3-8-25-13/h3-6,8-9,15,21,23H,2,7H2,1H3
InChIKeyHYLIBOJCWHKZPH-UHFFFAOYSA-N
XLogP4.10
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-hydroxyphenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108597124
1-butyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 44857931
(2S)-2-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 7381816
2-(4-fluorophenyl)-4-hydroxy-1-pentyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108643456
2-(4-ethylphenyl)-4-hydroxy-1-pentyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108649900
2-[(2S)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-diethylazanium
CID 6989186
4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108703400
1-butyl-4-hydroxy-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 44857938
(2S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 7394845
2-(4-ethoxyphenyl)-4-hydroxy-1-pentyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108635790
2-(3,4-diethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3372731
4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3650023

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108637228) is 2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is HYLIBOJCWHKZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c1-2-7-20-15(10-5-6-12(21)11(19)9-10)14(17(23)18(20)24)16(22)13-4-3-8-25-13/h3-6,8-9,15,21,23H,2,7H2,1H3.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 377.85 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-4-hydroxy-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108637228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).