3-[(2-ethylphenyl)methoxymethyl]oxetane

C13H18O2 — CID 150275433

IUPAC3-[(2-ethylphenyl)methoxymethyl]oxetane
SMILESCCc1ccccc1COCC1COC1
InChIInChI=1S/C13H18O2/c1-2-12-5-3-4-6-13(12)10-15-9-11-7-14-8-11/h3-6,11H,2,7-10H2,1H3
InChIKeyGELUXQBBZLXGMO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.41
Rot. Bonds5

About 3-[(2-ethylphenyl)methoxymethyl]oxetane

3-[(2-ethylphenyl)methoxymethyl]oxetane (PubChem CID 150275433) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)methoxymethyl]oxetane.

Molecular Properties

Compound Name3-[(2-ethylphenyl)methoxymethyl]oxetane
PubChem CID150275433
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-[(2-ethylphenyl)methoxymethyl]oxetane
SMILESCCc1ccccc1COCC1COC1
InChIInChI=1S/C13H18O2/c1-2-12-5-3-4-6-13(12)10-15-9-11-7-14-8-11/h3-6,11H,2,7-10H2,1H3
InChIKeyGELUXQBBZLXGMO-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)methoxymethyl]oxetane?
The IUPAC name of 3-[(2-ethylphenyl)methoxymethyl]oxetane (CID 150275433) is 3-[(2-ethylphenyl)methoxymethyl]oxetane.
What is the SMILES notation for 3-[(2-ethylphenyl)methoxymethyl]oxetane?
The canonical SMILES for 3-[(2-ethylphenyl)methoxymethyl]oxetane is CCc1ccccc1COCC1COC1.
What is the InChIKey of 3-[(2-ethylphenyl)methoxymethyl]oxetane?
The InChIKey is GELUXQBBZLXGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-12-5-3-4-6-13(12)10-15-9-11-7-14-8-11/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 3-[(2-ethylphenyl)methoxymethyl]oxetane?
3-[(2-ethylphenyl)methoxymethyl]oxetane has a molecular weight of 206.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)methoxymethyl]oxetane is sourced from PubChem (CID 150275433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).