2-(2-phenoxyethoxy)oxane

C13H18O3 — CID 11736193

IUPAC2-(2-phenoxyethoxy)oxane
SMILESc1ccc(OCCOC2CCCCO2)cc1
InChIInChI=1S/C13H18O3/c1-2-6-12(7-3-1)14-10-11-16-13-8-4-5-9-15-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyCYZDNPQUMUMIQO-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.61
Rot. Bonds5

About 2-(2-phenoxyethoxy)oxane

2-(2-phenoxyethoxy)oxane (PubChem CID 11736193) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)oxane.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)oxane
PubChem CID11736193
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(2-phenoxyethoxy)oxane
SMILESc1ccc(OCCOC2CCCCO2)cc1
InChIInChI=1S/C13H18O3/c1-2-6-12(7-3-1)14-10-11-16-13-8-4-5-9-15-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyCYZDNPQUMUMIQO-UHFFFAOYSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
2-(4-phenoxybut-2-ynoxy)oxane
CID 19849494
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane
CID 10760189
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
CID 67378314
3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]-3-oxopropanal
CID 137354800

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)oxane?
The IUPAC name of 2-(2-phenoxyethoxy)oxane (CID 11736193) is 2-(2-phenoxyethoxy)oxane.
What is the SMILES notation for 2-(2-phenoxyethoxy)oxane?
The canonical SMILES for 2-(2-phenoxyethoxy)oxane is c1ccc(OCCOC2CCCCO2)cc1.
What is the InChIKey of 2-(2-phenoxyethoxy)oxane?
The InChIKey is CYZDNPQUMUMIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-6-12(7-3-1)14-10-11-16-13-8-4-5-9-15-13/h1-3,6-7,13H,4-5,8-11H2.
What are the key properties of 2-(2-phenoxyethoxy)oxane?
2-(2-phenoxyethoxy)oxane has a molecular weight of 222.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)oxane is sourced from PubChem (CID 11736193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).