2-[1-(4-methoxyphenoxy)ethyl]oxirane

C11H14O3 — CID 20661059

IUPAC2-[1-(4-methoxyphenoxy)ethyl]oxirane
SMILESCOc1ccc(OC(C)C2CO2)cc1
InChIInChI=1S/C11H14O3/c1-8(11-7-13-11)14-10-5-3-9(12-2)4-6-10/h3-6,8,11H,7H2,1-2H3
InChIKeyQCHOXYJUYGIHGA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.86
Rot. Bonds4

About 2-[1-(4-methoxyphenoxy)ethyl]oxirane

2-[1-(4-methoxyphenoxy)ethyl]oxirane (PubChem CID 20661059) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenoxy)ethyl]oxirane.

Molecular Properties

Compound Name2-[1-(4-methoxyphenoxy)ethyl]oxirane
PubChem CID20661059
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-[1-(4-methoxyphenoxy)ethyl]oxirane
SMILESCOc1ccc(OC(C)C2CO2)cc1
InChIInChI=1S/C11H14O3/c1-8(11-7-13-11)14-10-5-3-9(12-2)4-6-10/h3-6,8,11H,7H2,1-2H3
InChIKeyQCHOXYJUYGIHGA-UHFFFAOYSA-N
XLogP1.86
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.86
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

2-[1-(2-methoxyphenoxy)ethyl]oxirane
CID 22064084
(2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane
CID 177315684
2-[1-[4-[4-[4-[1-(oxiran-2-yl)ethoxy]phenyl]cyclohexen-1-yl]phenoxy]ethyl]oxirane
CID 87427174
2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane
CID 4868245
(2R)-2-[(1R)-1-methoxyethyl]oxirane
CID 124579088
(6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate
CID 175404510
bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
(2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane
CID 11097940
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
2-[1-[4-[4-[4-[1-(oxiran-2-yl)propoxy]phenyl]phenyl]phenoxy]propyl]oxirane
CID 87427589
(3S,4S,6R)-6-(4-methoxyphenyl)oxane-3,4-diol
CID 100945532

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenoxy)ethyl]oxirane?
The IUPAC name of 2-[1-(4-methoxyphenoxy)ethyl]oxirane (CID 20661059) is 2-[1-(4-methoxyphenoxy)ethyl]oxirane.
What is the SMILES notation for 2-[1-(4-methoxyphenoxy)ethyl]oxirane?
The canonical SMILES for 2-[1-(4-methoxyphenoxy)ethyl]oxirane is COc1ccc(OC(C)C2CO2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenoxy)ethyl]oxirane?
The InChIKey is QCHOXYJUYGIHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(11-7-13-11)14-10-5-3-9(12-2)4-6-10/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 2-[1-(4-methoxyphenoxy)ethyl]oxirane?
2-[1-(4-methoxyphenoxy)ethyl]oxirane has a molecular weight of 194.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenoxy)ethyl]oxirane is sourced from PubChem (CID 20661059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).