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

C13H18O5 — CID 74928009

IUPAC2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
SMILESCOCCOCOc1ccc(OCC2CO2)cc1
InChIInChI=1S/C13H18O5/c1-14-6-7-15-10-18-12-4-2-11(3-5-12)16-8-13-9-17-13/h2-5,13H,6-10H2,1H3
InChIKeySIVQVUDTUJUERT-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.46
Rot. Bonds9

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

2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane (PubChem CID 74928009) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
PubChem CID74928009
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
SMILESCOCCOCOc1ccc(OCC2CO2)cc1
InChIInChI=1S/C13H18O5/c1-14-6-7-15-10-18-12-4-2-11(3-5-12)16-8-13-9-17-13/h2-5,13H,6-10H2,1H3
InChIKeySIVQVUDTUJUERT-UHFFFAOYSA-N
XLogP1.46
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490
2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 22557777
2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane
CID 137484879
ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
2-[[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59488995
2-[[3-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 131967080
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
4-(2-methoxyethoxymethoxy)phenol
CID 21223145

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane (CID 74928009) is 2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane is COCCOCOc1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane?
The InChIKey is SIVQVUDTUJUERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-14-6-7-15-10-18-12-4-2-11(3-5-12)16-8-13-9-17-13/h2-5,13H,6-10H2,1H3.
What are the key properties of 2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane?
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane has a molecular weight of 254.28 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane is sourced from PubChem (CID 74928009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).