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

C12H16O3 — CID 22359743

IUPAC2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
SMILESCOC(C)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C12H16O3/c1-9(13-2)10-3-5-11(6-4-10)14-7-12-8-15-12/h3-6,9,12H,7-8H2,1-2H3
InChIKeyUPHMUHFOOMHWBG-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.17
Rot. Bonds5

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

2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane (PubChem CID 22359743) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
PubChem CID22359743
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
SMILESCOC(C)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C12H16O3/c1-9(13-2)10-3-5-11(6-4-10)14-7-12-8-15-12/h3-6,9,12H,7-8H2,1-2H3
InChIKeyUPHMUHFOOMHWBG-UHFFFAOYSA-N
XLogP2.17
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072
2-[[4-(1-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 22557777
2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
CID 87292739
2-[[4-(2,5,5-trimethylhexan-3-yl)phenoxy]methyl]oxirane
CID 123926439
2-[[4-[2,2-bis(4-butoxyphenyl)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 118013692
2-[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]oxetane
CID 130316322
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane (CID 22359743) is 2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane is COC(C)c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane?
The InChIKey is UPHMUHFOOMHWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(13-2)10-3-5-11(6-4-10)14-7-12-8-15-12/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane?
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane has a molecular weight of 208.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 22359743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).