2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane

C13H16O3 — CID 58165314

IUPAC2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane
SMILESCC1CC(c2ccc(OCC3CO3)cc2)O1
InChIInChI=1S/C13H16O3/c1-9-6-13(16-9)10-2-4-11(5-3-10)14-7-12-8-15-12/h2-5,9,12-13H,6-8H2,1H3
InChIKeyLZZMDGXKTVTUAT-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.31
Rot. Bonds4

About 2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane

2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane (PubChem CID 58165314) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane.

Molecular Properties

Compound Name2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane
PubChem CID58165314
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane
SMILESCC1CC(c2ccc(OCC3CO3)cc2)O1
InChIInChI=1S/C13H16O3/c1-9-6-13(16-9)10-2-4-11(5-3-10)14-7-12-8-15-12/h2-5,9,12-13H,6-8H2,1H3
InChIKeyLZZMDGXKTVTUAT-UHFFFAOYSA-N
XLogP2.31
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.31
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-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane
CID 90374577
4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane
CID 140578921
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
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
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
2-chloro-5-(oxiran-2-ylmethoxy)pyridine
CID 87132450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane?
The IUPAC name of 2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane (CID 58165314) is 2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane.
What is the SMILES notation for 2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane?
The canonical SMILES for 2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane is CC1CC(c2ccc(OCC3CO3)cc2)O1.
What is the InChIKey of 2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane?
The InChIKey is LZZMDGXKTVTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9-6-13(16-9)10-2-4-11(5-3-10)14-7-12-8-15-12/h2-5,9,12-13H,6-8H2,1H3.
What are the key properties of 2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane?
2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane has a molecular weight of 220.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane is sourced from PubChem (CID 58165314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).