4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine

C20H23ClINO3 — CID 11156017

IUPAC4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine
SMILESCCOc1cc(I)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C20H23ClINO3/c1-2-24-20-11-17(22)7-8-19(20)26-14-18-13-23(9-10-25-18)12-15-3-5-16(21)6-4-15/h3-8,11,18H,2,9-10,12-14H2,1H3
InChIKeyAWUMJLOVUGWIFT-UHFFFAOYSA-N
MW487.77 g/mol
LogP4.62
Rot. Bonds7

About 4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine

4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine (PubChem CID 11156017) has the molecular formula C20H23ClINO3 and a molecular weight of 487.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine
PubChem CID11156017
Molecular FormulaC20H23ClINO3
Molecular Weight487.77 g/mol
Exact Mass487.04
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine
SMILESCCOc1cc(I)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C20H23ClINO3/c1-2-24-20-11-17(22)7-8-19(20)26-14-18-13-23(9-10-25-18)12-15-3-5-16(21)6-4-15/h3-8,11,18H,2,9-10,12-14H2,1H3
InChIKeyAWUMJLOVUGWIFT-UHFFFAOYSA-N
XLogP4.62
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.77
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine (CID 11156017) is 4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine is CCOc1cc(I)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine?
The InChIKey is AWUMJLOVUGWIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClINO3/c1-2-24-20-11-17(22)7-8-19(20)26-14-18-13-23(9-10-25-18)12-15-3-5-16(21)6-4-15/h3-8,11,18H,2,9-10,12-14H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine?
4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine has a molecular weight of 487.77 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-4-iodophenoxy)methyl]morpholine is sourced from PubChem (CID 11156017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).