4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine

C26H29NO4 — CID 130178723

IUPAC4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
SMILESc1ccc(COc2ccc(OCCN3CCOCC3)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C26H29NO4/c1-3-7-22(8-4-1)20-30-24-11-12-25(29-18-15-27-13-16-28-17-14-27)26(19-24)31-21-23-9-5-2-6-10-23/h1-12,19H,13-18,20-21H2
InChIKeyHUBJOXOGHAIJPL-UHFFFAOYSA-N
MW419.52 g/mol
LogP4.56
Rot. Bonds10

About 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine

4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine (PubChem CID 130178723) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
PubChem CID130178723
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
SMILESc1ccc(COc2ccc(OCCN3CCOCC3)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C26H29NO4/c1-3-7-22(8-4-1)20-30-24-11-12-25(29-18-15-27-13-16-28-17-14-27)26(19-24)31-21-23-9-5-2-6-10-23/h1-12,19H,13-18,20-21H2
InChIKeyHUBJOXOGHAIJPL-UHFFFAOYSA-N
XLogP4.56
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine 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 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine (CID 130178723) is 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine is c1ccc(COc2ccc(OCCN3CCOCC3)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine?
The InChIKey is HUBJOXOGHAIJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-3-7-22(8-4-1)20-30-24-11-12-25(29-18-15-27-13-16-28-17-14-27)26(19-24)31-21-23-9-5-2-6-10-23/h1-12,19H,13-18,20-21H2.
What are the key properties of 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine?
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine has a molecular weight of 419.52 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine is sourced from PubChem (CID 130178723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).