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

C20H24O3 — CID 10781413

IUPAC2-[2-(4-benzylphenoxy)ethoxy]oxane
SMILESc1ccc(Cc2ccc(OCCOC3CCCCO3)cc2)cc1
InChIInChI=1S/C20H24O3/c1-2-6-17(7-3-1)16-18-9-11-19(12-10-18)21-14-15-23-20-8-4-5-13-22-20/h1-3,6-7,9-12,20H,4-5,8,13-16H2
InChIKeyHKSIHVWLLWFLMZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.20
Rot. Bonds7

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

2-[2-(4-benzylphenoxy)ethoxy]oxane (PubChem CID 10781413) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[2-(4-benzylphenoxy)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(4-benzylphenoxy)ethoxy]oxane
PubChem CID10781413
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name2-[2-(4-benzylphenoxy)ethoxy]oxane
SMILESc1ccc(Cc2ccc(OCCOC3CCCCO3)cc2)cc1
InChIInChI=1S/C20H24O3/c1-2-6-17(7-3-1)16-18-9-11-19(12-10-18)21-14-15-23-20-8-4-5-13-22-20/h1-3,6-7,9-12,20H,4-5,8,13-16H2
InChIKeyHKSIHVWLLWFLMZ-UHFFFAOYSA-N
XLogP4.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.20
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzylphenoxy)ethoxy]oxane?
The IUPAC name of 2-[2-(4-benzylphenoxy)ethoxy]oxane (CID 10781413) is 2-[2-(4-benzylphenoxy)ethoxy]oxane.
What is the SMILES notation for 2-[2-(4-benzylphenoxy)ethoxy]oxane?
The canonical SMILES for 2-[2-(4-benzylphenoxy)ethoxy]oxane is c1ccc(Cc2ccc(OCCOC3CCCCO3)cc2)cc1.
What is the InChIKey of 2-[2-(4-benzylphenoxy)ethoxy]oxane?
The InChIKey is HKSIHVWLLWFLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-2-6-17(7-3-1)16-18-9-11-19(12-10-18)21-14-15-23-20-8-4-5-13-22-20/h1-3,6-7,9-12,20H,4-5,8,13-16H2.
What are the key properties of 2-[2-(4-benzylphenoxy)ethoxy]oxane?
2-[2-(4-benzylphenoxy)ethoxy]oxane has a molecular weight of 312.41 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzylphenoxy)ethoxy]oxane is sourced from PubChem (CID 10781413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).