3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane

C15H22O3 — CID 146309422

IUPAC3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane
SMILESCCOCC(Oc1ccccc1)C1(CC)COC1
InChIInChI=1S/C15H22O3/c1-3-15(11-17-12-15)14(10-16-4-2)18-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyBYBLKDJAKFVDFX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.90
Rot. Bonds7

About 3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane

3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane (PubChem CID 146309422) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane
PubChem CID146309422
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane
SMILESCCOCC(Oc1ccccc1)C1(CC)COC1
InChIInChI=1S/C15H22O3/c1-3-15(11-17-12-15)14(10-16-4-2)18-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyBYBLKDJAKFVDFX-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane?
The IUPAC name of 3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane (CID 146309422) is 3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane?
The canonical SMILES for 3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane is CCOCC(Oc1ccccc1)C1(CC)COC1.
What is the InChIKey of 3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane?
The InChIKey is BYBLKDJAKFVDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-15(11-17-12-15)14(10-16-4-2)18-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3.
What are the key properties of 3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane?
3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane has a molecular weight of 250.34 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-1-phenoxyethyl)-3-ethyloxetane is sourced from PubChem (CID 146309422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).