(4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C16H23NO3 — CID 124758647

IUPAC(4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2cc(C)c(O)c(C)c2)CC1=O
InChIInChI=1S/C16H23NO3/c1-11-6-13(7-12(2)16(11)19)8-14-9-15(18)17(10-14)4-5-20-3/h6-7,14,19H,4-5,8-10H2,1-3H3/t14-/m0/s1
InChIKeyZJLDJHYSKCLNEE-AWEZNQCLSA-N
MW277.36 g/mol
LogP2.05
Rot. Bonds5

About (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 124758647) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID124758647
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2cc(C)c(O)c(C)c2)CC1=O
InChIInChI=1S/C16H23NO3/c1-11-6-13(7-12(2)16(11)19)8-14-9-15(18)17(10-14)4-5-20-3/h6-7,14,19H,4-5,8-10H2,1-3H3/t14-/m0/s1
InChIKeyZJLDJHYSKCLNEE-AWEZNQCLSA-N
XLogP2.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 124758647) is (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@@H](Cc2cc(C)c(O)c(C)c2)CC1=O.
What is the InChIKey of (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is ZJLDJHYSKCLNEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-6-13(7-12(2)16(11)19)8-14-9-15(18)17(10-14)4-5-20-3/h6-7,14,19H,4-5,8-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 277.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 124758647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).