3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane

C15H22O3 — CID 146309423

IUPAC3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane
SMILESCCOC(C)(Oc1ccccc1)C1(CC)COC1
InChIInChI=1S/C15H22O3/c1-4-15(11-16-12-15)14(3,17-5-2)18-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeyZCZUHYRUCZLALV-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.24
Rot. Bonds6

About 3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane

3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane (PubChem CID 146309423) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane
PubChem CID146309423
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane
SMILESCCOC(C)(Oc1ccccc1)C1(CC)COC1
InChIInChI=1S/C15H22O3/c1-4-15(11-16-12-15)14(3,17-5-2)18-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeyZCZUHYRUCZLALV-UHFFFAOYSA-N
XLogP3.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane?
The IUPAC name of 3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane (CID 146309423) is 3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane?
The canonical SMILES for 3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane is CCOC(C)(Oc1ccccc1)C1(CC)COC1.
What is the InChIKey of 3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane?
The InChIKey is ZCZUHYRUCZLALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-15(11-16-12-15)14(3,17-5-2)18-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of 3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane?
3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane has a molecular weight of 250.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-1-phenoxyethyl)-3-ethyloxetane is sourced from PubChem (CID 146309423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).