2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane

C13H16O3 — CID 13171806

IUPAC2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
SMILESC=C(C)COc1ccccc1OCC1CO1
InChIInChI=1S/C13H16O3/c1-10(2)7-15-12-5-3-4-6-13(12)16-9-11-8-14-11/h3-6,11H,1,7-9H2,2H3
InChIKeyIBBKVNFMOFYMDT-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.42
Rot. Bonds6

About 2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane

2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane (PubChem CID 13171806) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
PubChem CID13171806
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
SMILESC=C(C)COc1ccccc1OCC1CO1
InChIInChI=1S/C13H16O3/c1-10(2)7-15-12-5-3-4-6-13(12)16-9-11-8-14-11/h3-6,11H,1,7-9H2,2H3
InChIKeyIBBKVNFMOFYMDT-UHFFFAOYSA-N
XLogP2.42
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane
CID 2308866
2-methylprop-2-enyl oxiran-2-ylmethyl phenyl phosphite
CID 87262004
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 23044383

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane (CID 13171806) is 2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane is C=C(C)COc1ccccc1OCC1CO1.
What is the InChIKey of 2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane?
The InChIKey is IBBKVNFMOFYMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(2)7-15-12-5-3-4-6-13(12)16-9-11-8-14-11/h3-6,11H,1,7-9H2,2H3.
What are the key properties of 2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane?
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane has a molecular weight of 220.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane is sourced from PubChem (CID 13171806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).