4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one

C12H14ClNO2 — CID 168688290

IUPAC4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(O)cc(C)c1N1CC(Cl)CC1=O
InChIInChI=1S/C12H14ClNO2/c1-7-3-10(15)4-8(2)12(7)14-6-9(13)5-11(14)16/h3-4,9,15H,5-6H2,1-2H3
InChIKeyNJUVFSGHMGXZTC-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.35
Rot. Bonds1

About 4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one

4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one (PubChem CID 168688290) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one
PubChem CID168688290
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(O)cc(C)c1N1CC(Cl)CC1=O
InChIInChI=1S/C12H14ClNO2/c1-7-3-10(15)4-8(2)12(7)14-6-9(13)5-11(14)16/h3-4,9,15H,5-6H2,1-2H3
InChIKeyNJUVFSGHMGXZTC-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxy-2,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662808
1-(4-hydroxy-2,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717885
4-chloro-1-[2-(hydroxymethyl)-6-methylphenyl]pyrrolidin-2-one
CID 168688327
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
1-(2-amino-3,5-dimethylphenyl)-4-chloropyrrolidin-2-one
CID 168688113
4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 168687823
4-chloro-1-(2,4-dibromo-3,5-dimethylphenyl)pyrrolidin-2-one
CID 168687962
4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168687983
4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688103
4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 168688173

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one (CID 168688290) is 4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one is Cc1cc(O)cc(C)c1N1CC(Cl)CC1=O.
What is the InChIKey of 4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is NJUVFSGHMGXZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-7-3-10(15)4-8(2)12(7)14-6-9(13)5-11(14)16/h3-4,9,15H,5-6H2,1-2H3.
What are the key properties of 4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one?
4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 239.70 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168688290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).