3-(4-propan-2-yloxyphenoxy)azetidine

C12H17NO2 — CID 138962087

IUPAC3-(4-propan-2-yloxyphenoxy)azetidine
SMILESCC(C)Oc1ccc(OC2CNC2)cc1
InChIInChI=1S/C12H17NO2/c1-9(2)14-10-3-5-11(6-4-10)15-12-7-13-8-12/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyCCZWDEZXEFFPDO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.82
Rot. Bonds4

About 3-(4-propan-2-yloxyphenoxy)azetidine

3-(4-propan-2-yloxyphenoxy)azetidine (PubChem CID 138962087) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyphenoxy)azetidine.

Molecular Properties

Compound Name3-(4-propan-2-yloxyphenoxy)azetidine
PubChem CID138962087
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(4-propan-2-yloxyphenoxy)azetidine
SMILESCC(C)Oc1ccc(OC2CNC2)cc1
InChIInChI=1S/C12H17NO2/c1-9(2)14-10-3-5-11(6-4-10)15-12-7-13-8-12/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyCCZWDEZXEFFPDO-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-yloxyphenoxy)piperidine
CID 89453291
3-(4-propan-2-yloxyphenyl)sulfanylazetidine
CID 117032992
4-(azetidin-3-yloxy)pyridine;ethane
CID 156641391
(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one
CID 146884141
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene
CID 130450383
3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane
CID 16678459
(2R)-2-(4-propan-2-yloxyphenyl)piperazine
CID 95443937
2-[4-(azetidin-3-yloxy)phenyl]ethanol
CID 107708914
3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
CID 115026405
3-(1-phenoxyethyl)azetidine
CID 105437140
5-(azetidin-3-yloxy)-2-tert-butylpyridine
CID 134595579

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxyphenoxy)azetidine?
The IUPAC name of 3-(4-propan-2-yloxyphenoxy)azetidine (CID 138962087) is 3-(4-propan-2-yloxyphenoxy)azetidine.
What is the SMILES notation for 3-(4-propan-2-yloxyphenoxy)azetidine?
The canonical SMILES for 3-(4-propan-2-yloxyphenoxy)azetidine is CC(C)Oc1ccc(OC2CNC2)cc1.
What is the InChIKey of 3-(4-propan-2-yloxyphenoxy)azetidine?
The InChIKey is CCZWDEZXEFFPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)14-10-3-5-11(6-4-10)15-12-7-13-8-12/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 3-(4-propan-2-yloxyphenoxy)azetidine?
3-(4-propan-2-yloxyphenoxy)azetidine has a molecular weight of 207.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyphenoxy)azetidine is sourced from PubChem (CID 138962087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).