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

C20H24O4 — CID 10640015

IUPAC2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane
SMILESc1ccc(COc2ccc(OCCOC3CCCCO3)cc2)cc1
InChIInChI=1S/C20H24O4/c1-2-6-17(7-3-1)16-24-19-11-9-18(10-12-19)21-14-15-23-20-8-4-5-13-22-20/h1-3,6-7,9-12,20H,4-5,8,13-16H2
InChIKeyWQNKRRHQPXDJNT-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.19
Rot. Bonds8

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

2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane (PubChem CID 10640015) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane
PubChem CID10640015
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane
SMILESc1ccc(COc2ccc(OCCOC3CCCCO3)cc2)cc1
InChIInChI=1S/C20H24O4/c1-2-6-17(7-3-1)16-24-19-11-9-18(10-12-19)21-14-15-23-20-8-4-5-13-22-20/h1-3,6-7,9-12,20H,4-5,8,13-16H2
InChIKeyWQNKRRHQPXDJNT-UHFFFAOYSA-N
XLogP4.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-phenylmethoxyphenoxy)ethoxy]oxane?
The IUPAC name of 2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane (CID 10640015) is 2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane.
What is the SMILES notation for 2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane?
The canonical SMILES for 2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane is c1ccc(COc2ccc(OCCOC3CCCCO3)cc2)cc1.
What is the InChIKey of 2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane?
The InChIKey is WQNKRRHQPXDJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-2-6-17(7-3-1)16-24-19-11-9-18(10-12-19)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-phenylmethoxyphenoxy)ethoxy]oxane?
2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane has a molecular weight of 328.41 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylmethoxyphenoxy)ethoxy]oxane is sourced from PubChem (CID 10640015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).