2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane

C13H18O4 — CID 59687579

IUPAC2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
SMILESc1ccc(OCCOCCOCC2CO2)cc1
InChIInChI=1S/C13H18O4/c1-2-4-12(5-3-1)16-9-8-14-6-7-15-10-13-11-17-13/h1-5,13H,6-11H2
InChIKeyOOFVRUOEWPNSRH-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.50
Rot. Bonds9

About 2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane

2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane (PubChem CID 59687579) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
PubChem CID59687579
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
SMILESc1ccc(OCCOCCOCC2CO2)cc1
InChIInChI=1S/C13H18O4/c1-2-4-12(5-3-1)16-9-8-14-6-7-15-10-13-11-17-13/h1-5,13H,6-11H2
InChIKeyOOFVRUOEWPNSRH-UHFFFAOYSA-N
XLogP1.50
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
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
(2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane
CID 40562654
(2R,4S)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane
CID 40562656
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-[3-[4-[[4-[3-(oxiran-2-ylmethoxy)propoxy]phenyl]-diphenylmethyl]phenoxy]propoxymethyl]oxirane
CID 135321964
2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
CID 13013247
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane?
The IUPAC name of 2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane (CID 59687579) is 2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane is c1ccc(OCCOCCOCC2CO2)cc1.
What is the InChIKey of 2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane?
The InChIKey is OOFVRUOEWPNSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-2-4-12(5-3-1)16-9-8-14-6-7-15-10-13-11-17-13/h1-5,13H,6-11H2.
What are the key properties of 2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane?
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane has a molecular weight of 238.28 g/mol, XLogP of 1.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane is sourced from PubChem (CID 59687579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).