2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane

C13H16O4 — CID 86030430

IUPAC2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
SMILESc1cc(OCC2CO2)ccc1COCC1CO1
InChIInChI=1S/C13H16O4/c1-3-11(15-8-13-9-17-13)4-2-10(1)5-14-6-12-7-16-12/h1-4,12-13H,5-9H2
InChIKeyCHNAOAFBJHYJBM-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.38
Rot. Bonds7

About 2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane

2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane (PubChem CID 86030430) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
PubChem CID86030430
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
SMILESc1cc(OCC2CO2)ccc1COCC1CO1
InChIInChI=1S/C13H16O4/c1-3-11(15-8-13-9-17-13)4-2-10(1)5-14-6-12-7-16-12/h1-4,12-13H,5-9H2
InChIKeyCHNAOAFBJHYJBM-UHFFFAOYSA-N
XLogP1.38
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.38
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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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
CID 59015330
CID 59015330
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
CID 22561280
4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline
CID 163586809
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
CID 140880612
2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane (CID 86030430) is 2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane is c1cc(OCC2CO2)ccc1COCC1CO1.
What is the InChIKey of 2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane?
The InChIKey is CHNAOAFBJHYJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-3-11(15-8-13-9-17-13)4-2-10(1)5-14-6-12-7-16-12/h1-4,12-13H,5-9H2.
What are the key properties of 2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane?
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane has a molecular weight of 236.27 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 86030430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).