2-[(4-phenoxyphenyl)methoxy]oxane

C18H20O3 — CID 10779416

IUPAC2-[(4-phenoxyphenyl)methoxy]oxane
SMILESc1ccc(Oc2ccc(COC3CCCCO3)cc2)cc1
InChIInChI=1S/C18H20O3/c1-2-6-16(7-3-1)21-17-11-9-15(10-12-17)14-20-18-8-4-5-13-19-18/h1-3,6-7,9-12,18H,4-5,8,13-14H2
InChIKeyYGPDUVCAVCHACJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.52
Rot. Bonds5

About 2-[(4-phenoxyphenyl)methoxy]oxane

2-[(4-phenoxyphenyl)methoxy]oxane (PubChem CID 10779416) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(4-phenoxyphenyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(4-phenoxyphenyl)methoxy]oxane
PubChem CID10779416
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-[(4-phenoxyphenyl)methoxy]oxane
SMILESc1ccc(Oc2ccc(COC3CCCCO3)cc2)cc1
InChIInChI=1S/C18H20O3/c1-2-6-16(7-3-1)21-17-11-9-15(10-12-17)14-20-18-8-4-5-13-19-18/h1-3,6-7,9-12,18H,4-5,8,13-14H2
InChIKeyYGPDUVCAVCHACJ-UHFFFAOYSA-N
XLogP4.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxyphenyl)methoxy]oxane?
The IUPAC name of 2-[(4-phenoxyphenyl)methoxy]oxane (CID 10779416) is 2-[(4-phenoxyphenyl)methoxy]oxane.
What is the SMILES notation for 2-[(4-phenoxyphenyl)methoxy]oxane?
The canonical SMILES for 2-[(4-phenoxyphenyl)methoxy]oxane is c1ccc(Oc2ccc(COC3CCCCO3)cc2)cc1.
What is the InChIKey of 2-[(4-phenoxyphenyl)methoxy]oxane?
The InChIKey is YGPDUVCAVCHACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-6-16(7-3-1)21-17-11-9-15(10-12-17)14-20-18-8-4-5-13-19-18/h1-3,6-7,9-12,18H,4-5,8,13-14H2.
What are the key properties of 2-[(4-phenoxyphenyl)methoxy]oxane?
2-[(4-phenoxyphenyl)methoxy]oxane has a molecular weight of 284.36 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxyphenyl)methoxy]oxane is sourced from PubChem (CID 10779416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).