2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane

C18H18O4 — CID 67790428

IUPAC2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane
SMILESc1cc(-c2ccc(OC3CCO3)cc2)ccc1OC1CCO1
InChIInChI=1S/C18H18O4/c1-5-15(21-17-9-11-19-17)6-2-13(1)14-3-7-16(8-4-14)22-18-10-12-20-18/h1-8,17-18H,9-12H2
InChIKeyBMOZDAQKQIADNH-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane

2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane (PubChem CID 67790428) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane.

Molecular Properties

Compound Name2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane
PubChem CID67790428
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane
SMILESc1cc(-c2ccc(OC3CCO3)cc2)ccc1OC1CCO1
InChIInChI=1S/C18H18O4/c1-5-15(21-17-9-11-19-17)6-2-13(1)14-3-7-16(8-4-14)22-18-10-12-20-18/h1-8,17-18H,9-12H2
InChIKeyBMOZDAQKQIADNH-UHFFFAOYSA-N
XLogP3.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane?
The IUPAC name of 2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane (CID 67790428) is 2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane.
What is the SMILES notation for 2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane?
The canonical SMILES for 2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane is c1cc(-c2ccc(OC3CCO3)cc2)ccc1OC1CCO1.
What is the InChIKey of 2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane?
The InChIKey is BMOZDAQKQIADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-5-15(21-17-9-11-19-17)6-2-13(1)14-3-7-16(8-4-14)22-18-10-12-20-18/h1-8,17-18H,9-12H2.
What are the key properties of 2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane?
2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane has a molecular weight of 298.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(oxetan-2-yloxy)phenyl]phenoxy]oxetane is sourced from PubChem (CID 67790428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).