3-(2-methylpropoxy)-3-phenyloxetane

C13H18O2 — CID 175289213

IUPAC3-(2-methylpropoxy)-3-phenyloxetane
SMILESCC(C)COC1(c2ccccc2)COC1
InChIInChI=1S/C13H18O2/c1-11(2)8-15-13(9-14-10-13)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyWFOXXJZHKILYAP-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-methylpropoxy)-3-phenyloxetane

3-(2-methylpropoxy)-3-phenyloxetane (PubChem CID 175289213) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-3-phenyloxetane.

Molecular Properties

Compound Name3-(2-methylpropoxy)-3-phenyloxetane
PubChem CID175289213
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-(2-methylpropoxy)-3-phenyloxetane
SMILESCC(C)COC1(c2ccccc2)COC1
InChIInChI=1S/C13H18O2/c1-11(2)8-15-13(9-14-10-13)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyWFOXXJZHKILYAP-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-3-phenyloxetane?
The IUPAC name of 3-(2-methylpropoxy)-3-phenyloxetane (CID 175289213) is 3-(2-methylpropoxy)-3-phenyloxetane.
What is the SMILES notation for 3-(2-methylpropoxy)-3-phenyloxetane?
The canonical SMILES for 3-(2-methylpropoxy)-3-phenyloxetane is CC(C)COC1(c2ccccc2)COC1.
What is the InChIKey of 3-(2-methylpropoxy)-3-phenyloxetane?
The InChIKey is WFOXXJZHKILYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11(2)8-15-13(9-14-10-13)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-3-phenyloxetane?
3-(2-methylpropoxy)-3-phenyloxetane has a molecular weight of 206.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-3-phenyloxetane is sourced from PubChem (CID 175289213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).