methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate

C19H21NO4 — CID 155153754

IUPACmethyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate
SMILESCOC(=O)c1cccc(COc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C19H21NO4/c1-22-19(21)16-4-2-3-15(13-16)14-24-18-7-5-17(6-8-18)20-9-11-23-12-10-20/h2-8,13H,9-12,14H2,1H3
InChIKeyJDTVBBKGCUNDOW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.89
Rot. Bonds5

About methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate

methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate (PubChem CID 155153754) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate
PubChem CID155153754
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate
SMILESCOC(=O)c1cccc(COc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C19H21NO4/c1-22-19(21)16-4-2-3-15(13-16)14-24-18-7-5-17(6-8-18)20-9-11-23-12-10-20/h2-8,13H,9-12,14H2,1H3
InChIKeyJDTVBBKGCUNDOW-UHFFFAOYSA-N
XLogP2.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate 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 methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate?
The IUPAC name of methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate (CID 155153754) is methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate.
What is the SMILES notation for methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate?
The canonical SMILES for methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate is COC(=O)c1cccc(COc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate?
The InChIKey is JDTVBBKGCUNDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-19(21)16-4-2-3-15(13-16)14-24-18-7-5-17(6-8-18)20-9-11-23-12-10-20/h2-8,13H,9-12,14H2,1H3.
What are the key properties of methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate?
methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-morpholin-4-ylphenoxy)methyl]benzoate is sourced from PubChem (CID 155153754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).