1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid

C19H19Cl2NO4 — CID 46872048

IUPAC1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid
SMILESCOc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO4/c1-25-18-6-12(8-22-9-14(10-22)19(23)24)2-5-17(18)26-11-13-3-4-15(20)7-16(13)21/h2-7,14H,8-11H2,1H3,(H,23,24)
InChIKeyKOMZDIJMFFDGRK-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.10
Rot. Bonds7

About 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid

1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 46872048) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid
PubChem CID46872048
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid
SMILESCOc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO4/c1-25-18-6-12(8-22-9-14(10-22)19(23)24)2-5-17(18)26-11-13-3-4-15(20)7-16(13)21/h2-7,14H,8-11H2,1H3,(H,23,24)
InChIKeyKOMZDIJMFFDGRK-UHFFFAOYSA-N
XLogP4.10
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid 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 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid (CID 46872048) is 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid is COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is KOMZDIJMFFDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-25-18-6-12(8-22-9-14(10-22)19(23)24)2-5-17(18)26-11-13-3-4-15(20)7-16(13)21/h2-7,14H,8-11H2,1H3,(H,23,24).
What are the key properties of 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 396.27 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 46872048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).