2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane

C21H24O6 — CID 130450450

IUPAC2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane
SMILESCCOCOc1cc(OC2CCO2)cc(-c2ccc(OCC3CO3)cc2)c1
InChIInChI=1S/C21H24O6/c1-2-22-14-26-18-9-16(10-19(11-18)27-21-7-8-23-21)15-3-5-17(6-4-15)24-12-20-13-25-20/h3-6,9-11,20-21H,2,7-8,12-14H2,1H3
InChIKeyTZJIWKXILGMXPY-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.63
Rot. Bonds10

About 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane

2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane (PubChem CID 130450450) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane.

Molecular Properties

Compound Name2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane
PubChem CID130450450
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane
SMILESCCOCOc1cc(OC2CCO2)cc(-c2ccc(OCC3CO3)cc2)c1
InChIInChI=1S/C21H24O6/c1-2-22-14-26-18-9-16(10-19(11-18)27-21-7-8-23-21)15-3-5-17(6-4-15)24-12-20-13-25-20/h3-6,9-11,20-21H,2,7-8,12-14H2,1H3
InChIKeyTZJIWKXILGMXPY-UHFFFAOYSA-N
XLogP3.63
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane 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

ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane
CID 137484879
2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane
CID 130316322
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490
2-[[4-[1,1-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]ethyl]phenoxy]methyl]oxirane
CID 90352627
2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane
CID 67790428
2-[[4-[4-(ethoxymethoxy)phenyl]cyclohexa-1,2,3,5-tetraen-1-yl]oxymethyl]oxirane
CID 166798792
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2-[[4-[4-[3-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]phenoxy]phenyl]phenoxy]methyl]oxirane
CID 87453140
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
ethane;2-[[4-[1-[4-(ethoxymethoxy)-3-methylphenyl]-1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 176676139

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane?
The IUPAC name of 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane (CID 130450450) is 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane.
What is the SMILES notation for 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane?
The canonical SMILES for 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane is CCOCOc1cc(OC2CCO2)cc(-c2ccc(OCC3CO3)cc2)c1.
What is the InChIKey of 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane?
The InChIKey is TZJIWKXILGMXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c1-2-22-14-26-18-9-16(10-19(11-18)27-21-7-8-23-21)15-3-5-17(6-4-15)24-12-20-13-25-20/h3-6,9-11,20-21H,2,7-8,12-14H2,1H3.
What are the key properties of 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane?
2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane has a molecular weight of 372.42 g/mol, XLogP of 3.63, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane is sourced from PubChem (CID 130450450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).