2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane

C22H28O5 — CID 168915283

IUPAC2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
SMILESc1ccc(COc2ccc(OCCOCCOC3CCCCO3)cc2)cc1
InChIInChI=1S/C22H28O5/c1-2-6-19(7-3-1)18-27-21-11-9-20(10-12-21)24-16-14-23-15-17-26-22-8-4-5-13-25-22/h1-3,6-7,9-12,22H,4-5,8,13-18H2
InChIKeyYZHHDQQLILPKSU-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.20
Rot. Bonds11

About 2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane

2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane (PubChem CID 168915283) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
PubChem CID168915283
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
SMILESc1ccc(COc2ccc(OCCOCCOC3CCCCO3)cc2)cc1
InChIInChI=1S/C22H28O5/c1-2-6-19(7-3-1)18-27-21-11-9-20(10-12-21)24-16-14-23-15-17-26-22-8-4-5-13-25-22/h1-3,6-7,9-12,22H,4-5,8,13-18H2
InChIKeyYZHHDQQLILPKSU-UHFFFAOYSA-N
XLogP4.20
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(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
2-(2-phenoxyethoxy)oxane
CID 11736193
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390
2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane
CID 23147268
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane
CID 143637417
2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
CID 54240973

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane (CID 168915283) is 2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane is c1ccc(COc2ccc(OCCOCCOC3CCCCO3)cc2)cc1.
What is the InChIKey of 2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane?
The InChIKey is YZHHDQQLILPKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O5/c1-2-6-19(7-3-1)18-27-21-11-9-20(10-12-21)24-16-14-23-15-17-26-22-8-4-5-13-25-22/h1-3,6-7,9-12,22H,4-5,8,13-18H2.
What are the key properties of 2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane?
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane has a molecular weight of 372.46 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane is sourced from PubChem (CID 168915283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).