2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane

C13H18O5 — CID 22557777

IUPAC2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane
SMILESCOC(C)OCOc1ccc(OCC2CO2)cc1
InChIInChI=1S/C13H18O5/c1-10(14-2)17-9-18-12-5-3-11(4-6-12)15-7-13-8-16-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyJEDCOKRMZFCLAZ-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.81
Rot. Bonds8

About 2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane

2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane (PubChem CID 22557777) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane
PubChem CID22557777
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane
SMILESCOC(C)OCOc1ccc(OCC2CO2)cc1
InChIInChI=1S/C13H18O5/c1-10(14-2)17-9-18-12-5-3-11(4-6-12)15-7-13-8-16-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyJEDCOKRMZFCLAZ-UHFFFAOYSA-N
XLogP1.81
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2-[[4-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
CID 59079287
2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
CID 87292739

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane (CID 22557777) is 2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane is COC(C)OCOc1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane?
The InChIKey is JEDCOKRMZFCLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-10(14-2)17-9-18-12-5-3-11(4-6-12)15-7-13-8-16-13/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane?
2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane has a molecular weight of 254.28 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane is sourced from PubChem (CID 22557777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).