3-(2-methyl-3-propan-2-ylphenoxy)oxetane

C13H18O2 — CID 166788212

IUPAC3-(2-methyl-3-propan-2-ylphenoxy)oxetane
SMILESCc1c(OC2COC2)cccc1C(C)C
InChIInChI=1S/C13H18O2/c1-9(2)12-5-4-6-13(10(12)3)15-11-7-14-8-11/h4-6,9,11H,7-8H2,1-3H3
InChIKeyZVSRWFDRQYZWCT-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.90
Rot. Bonds3

About 3-(2-methyl-3-propan-2-ylphenoxy)oxetane

3-(2-methyl-3-propan-2-ylphenoxy)oxetane (PubChem CID 166788212) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(2-methyl-3-propan-2-ylphenoxy)oxetane.

Molecular Properties

Compound Name3-(2-methyl-3-propan-2-ylphenoxy)oxetane
PubChem CID166788212
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-(2-methyl-3-propan-2-ylphenoxy)oxetane
SMILESCc1c(OC2COC2)cccc1C(C)C
InChIInChI=1S/C13H18O2/c1-9(2)12-5-4-6-13(10(12)3)15-11-7-14-8-11/h4-6,9,11H,7-8H2,1-3H3
InChIKeyZVSRWFDRQYZWCT-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-propan-2-ylphenoxy)oxetane?
The IUPAC name of 3-(2-methyl-3-propan-2-ylphenoxy)oxetane (CID 166788212) is 3-(2-methyl-3-propan-2-ylphenoxy)oxetane.
What is the SMILES notation for 3-(2-methyl-3-propan-2-ylphenoxy)oxetane?
The canonical SMILES for 3-(2-methyl-3-propan-2-ylphenoxy)oxetane is Cc1c(OC2COC2)cccc1C(C)C.
What is the InChIKey of 3-(2-methyl-3-propan-2-ylphenoxy)oxetane?
The InChIKey is ZVSRWFDRQYZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)12-5-4-6-13(10(12)3)15-11-7-14-8-11/h4-6,9,11H,7-8H2,1-3H3.
What are the key properties of 3-(2-methyl-3-propan-2-ylphenoxy)oxetane?
3-(2-methyl-3-propan-2-ylphenoxy)oxetane has a molecular weight of 206.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-propan-2-ylphenoxy)oxetane is sourced from PubChem (CID 166788212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).