2-(1-phenylethoxy)oxane

C13H18O2 — CID 10998197

IUPAC2-(1-phenylethoxy)oxane
SMILESCC(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C13H18O2/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14-13/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyOZGZXQGEFJVAFQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.29
Rot. Bonds3

About 2-(1-phenylethoxy)oxane

2-(1-phenylethoxy)oxane (PubChem CID 10998197) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(1-phenylethoxy)oxane.

Molecular Properties

Compound Name2-(1-phenylethoxy)oxane
PubChem CID10998197
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-(1-phenylethoxy)oxane
SMILESCC(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C13H18O2/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14-13/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyOZGZXQGEFJVAFQ-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethoxy)oxane?
The IUPAC name of 2-(1-phenylethoxy)oxane (CID 10998197) is 2-(1-phenylethoxy)oxane.
What is the SMILES notation for 2-(1-phenylethoxy)oxane?
The canonical SMILES for 2-(1-phenylethoxy)oxane is CC(OC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-(1-phenylethoxy)oxane?
The InChIKey is OZGZXQGEFJVAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14-13/h2-4,7-8,11,13H,5-6,9-10H2,1H3.
What are the key properties of 2-(1-phenylethoxy)oxane?
2-(1-phenylethoxy)oxane has a molecular weight of 206.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethoxy)oxane is sourced from PubChem (CID 10998197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).