4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one

C13H17NO3 — CID 23254565

IUPAC4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)CC2CCO)cc1
InChIInChI=1S/C13H17NO3/c1-17-12-4-2-10(3-5-12)9-14-11(6-7-15)8-13(14)16/h2-5,11,15H,6-9H2,1H3
InChIKeyRHPDMBMLIKTIJC-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.18
Rot. Bonds5

About 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one

4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one (PubChem CID 23254565) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
PubChem CID23254565
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)CC2CCO)cc1
InChIInChI=1S/C13H17NO3/c1-17-12-4-2-10(3-5-12)9-14-11(6-7-15)8-13(14)16/h2-5,11,15H,6-9H2,1H3
InChIKeyRHPDMBMLIKTIJC-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-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

Related Compounds

2-[(2R)-1-[(4-methoxyphenyl)methyl]-4-oxoazetidin-2-yl]acetaldehyde
CID 14543427
tert-butyl 1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate
CID 10827429
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one
CID 102168019
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
(3S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 139805560
6-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 135069719

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one (CID 23254565) is 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one is COc1ccc(CN2C(=O)CC2CCO)cc1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
The InChIKey is RHPDMBMLIKTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-12-4-2-10(3-5-12)9-14-11(6-7-15)8-13(14)16/h2-5,11,15H,6-9H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one is sourced from PubChem (CID 23254565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).