2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane

C22H26O6 — CID 87441812

IUPAC2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
SMILESc1cc(-c2ccc(OCCOCC3CO3)cc2)ccc1OCCOCC1CO1
InChIInChI=1S/C22H26O6/c1-5-19(25-11-9-23-13-21-15-27-21)6-2-17(1)18-3-7-20(8-4-18)26-12-10-24-14-22-16-28-22/h1-8,21-22H,9-16H2
InChIKeyJZUHRZJGECDZOK-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.94
Rot. Bonds13

About 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane

2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane (PubChem CID 87441812) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
PubChem CID87441812
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
SMILESc1cc(-c2ccc(OCCOCC3CO3)cc2)ccc1OCCOCC1CO1
InChIInChI=1S/C22H26O6/c1-5-19(25-11-9-23-13-21-15-27-21)6-2-17(1)18-3-7-20(8-4-18)26-12-10-24-14-22-16-28-22/h1-8,21-22H,9-16H2
InChIKeyJZUHRZJGECDZOK-UHFFFAOYSA-N
XLogP2.94
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane 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-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane
CID 143216259
2-[6-(4-phenylphenoxy)hexoxymethyl]oxirane
CID 100977910
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane
CID 152663687
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490
2-[2-[2-butan-2-yl-4-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87442404
2-[4-[4-(4-isocyanophenyl)phenoxy]butoxymethyl]oxirane;2-[[4-(4-isocyanophenyl)phenoxy]methyl]oxirane
CID 161198739
ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
4-[2-(oxiran-2-ylmethoxy)ethoxy]benzaldehyde;propan-2-ol
CID 18939129
2-[6-[4-[4-[4-[6-(oxiran-2-yl)hexoxy]phenyl]phenyl]phenoxy]hexyl]oxirane
CID 87427426

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane?
The IUPAC name of 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane (CID 87441812) is 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane is c1cc(-c2ccc(OCCOCC3CO3)cc2)ccc1OCCOCC1CO1.
What is the InChIKey of 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane?
The InChIKey is JZUHRZJGECDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-5-19(25-11-9-23-13-21-15-27-21)6-2-17(1)18-3-7-20(8-4-18)26-12-10-24-14-22-16-28-22/h1-8,21-22H,9-16H2.
What are the key properties of 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane?
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane has a molecular weight of 386.44 g/mol, XLogP of 2.94, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 87441812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).