3-[(4-phenylphenoxy)methyl]oxetane

C16H16O2 — CID 116820148

IUPAC3-[(4-phenylphenoxy)methyl]oxetane
SMILESc1ccc(-c2ccc(OCC3COC3)cc2)cc1
InChIInChI=1S/C16H16O2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-13-10-17-11-13/h1-9,13H,10-12H2
InChIKeyGYBDMYYSAPODQZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.38
Rot. Bonds4

About 3-[(4-phenylphenoxy)methyl]oxetane

3-[(4-phenylphenoxy)methyl]oxetane (PubChem CID 116820148) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[(4-phenylphenoxy)methyl]oxetane.

Molecular Properties

Compound Name3-[(4-phenylphenoxy)methyl]oxetane
PubChem CID116820148
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-[(4-phenylphenoxy)methyl]oxetane
SMILESc1ccc(-c2ccc(OCC3COC3)cc2)cc1
InChIInChI=1S/C16H16O2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-13-10-17-11-13/h1-9,13H,10-12H2
InChIKeyGYBDMYYSAPODQZ-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenoxy)methyl]oxetane?
The IUPAC name of 3-[(4-phenylphenoxy)methyl]oxetane (CID 116820148) is 3-[(4-phenylphenoxy)methyl]oxetane.
What is the SMILES notation for 3-[(4-phenylphenoxy)methyl]oxetane?
The canonical SMILES for 3-[(4-phenylphenoxy)methyl]oxetane is c1ccc(-c2ccc(OCC3COC3)cc2)cc1.
What is the InChIKey of 3-[(4-phenylphenoxy)methyl]oxetane?
The InChIKey is GYBDMYYSAPODQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-13-10-17-11-13/h1-9,13H,10-12H2.
What are the key properties of 3-[(4-phenylphenoxy)methyl]oxetane?
3-[(4-phenylphenoxy)methyl]oxetane has a molecular weight of 240.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenoxy)methyl]oxetane is sourced from PubChem (CID 116820148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).