2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane

C24H24O6 — CID 166849905

IUPAC2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane
SMILESCOCCOc1cccc(Oc2cccc(Oc3cccc(OCC4CO4)c3)c2)c1
InChIInChI=1S/C24H24O6/c1-25-11-12-26-18-5-2-7-20(13-18)29-22-9-4-10-23(15-22)30-21-8-3-6-19(14-21)27-16-24-17-28-24/h2-10,13-15,24H,11-12,16-17H2,1H3
InChIKeyVZCQTFWAYROJRY-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.07
Rot. Bonds11

About 2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane

2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane (PubChem CID 166849905) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane
PubChem CID166849905
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane
SMILESCOCCOc1cccc(Oc2cccc(Oc3cccc(OCC4CO4)c3)c2)c1
InChIInChI=1S/C24H24O6/c1-25-11-12-26-18-5-2-7-20(13-18)29-22-9-4-10-23(15-22)30-21-8-3-6-19(14-21)27-16-24-17-28-24/h2-10,13-15,24H,11-12,16-17H2,1H3
InChIKeyVZCQTFWAYROJRY-UHFFFAOYSA-N
XLogP5.07
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.07
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'}

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Related Compounds

2-[[4-[4-[3-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]phenoxy]phenyl]phenoxy]methyl]oxirane
CID 87453140
2-[[3-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 131967080
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
2-[[3-[2-[3-methoxy-5-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 154606206
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 155004813
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
2-[[3-[1,3,3-tris[3-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 59217386
2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 87877907
ethane;bis(1-ethyl-4-(4-ethylphenyl)benzene);2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-(phenoxymethyl)oxirane
CID 161019379
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane (CID 166849905) is 2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane is COCCOc1cccc(Oc2cccc(Oc3cccc(OCC4CO4)c3)c2)c1.
What is the InChIKey of 2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane?
The InChIKey is VZCQTFWAYROJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-25-11-12-26-18-5-2-7-20(13-18)29-22-9-4-10-23(15-22)30-21-8-3-6-19(14-21)27-16-24-17-28-24/h2-10,13-15,24H,11-12,16-17H2,1H3.
What are the key properties of 2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane?
2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane has a molecular weight of 408.45 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-[3-(2-methoxyethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane is sourced from PubChem (CID 166849905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).