2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

C12H14O4 — CID 7586

IUPAC2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESc1cc(OCC2CO2)cc(OCC2CO2)c1
InChIInChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2
InChIKeyWPYCRFCQABTEKC-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.24
Rot. Bonds6

About 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (PubChem CID 7586) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
PubChem CID7586
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESc1cc(OCC2CO2)cc(OCC2CO2)c1
InChIInChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2
InChIKeyWPYCRFCQABTEKC-UHFFFAOYSA-N
XLogP1.24
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (CID 7586) is 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is c1cc(OCC2CO2)cc(OCC2CO2)c1.
What is the InChIKey of 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The InChIKey is WPYCRFCQABTEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2.
What are the key properties of 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane has a molecular weight of 222.24 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is sourced from PubChem (CID 7586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).