2-(4-phenylmethoxyphenoxy)oxane

C18H20O3 — CID 11076959

IUPAC2-(4-phenylmethoxyphenoxy)oxane
SMILESc1ccc(COc2ccc(OC3CCCCO3)cc2)cc1
InChIInChI=1S/C18H20O3/c1-2-6-15(7-3-1)14-20-16-9-11-17(12-10-16)21-18-8-4-5-13-19-18/h1-3,6-7,9-12,18H,4-5,8,13-14H2
InChIKeyMOFJJBOIEHDUQL-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.17
Rot. Bonds5

About 2-(4-phenylmethoxyphenoxy)oxane

2-(4-phenylmethoxyphenoxy)oxane (PubChem CID 11076959) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenoxy)oxane.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenoxy)oxane
PubChem CID11076959
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(4-phenylmethoxyphenoxy)oxane
SMILESc1ccc(COc2ccc(OC3CCCCO3)cc2)cc1
InChIInChI=1S/C18H20O3/c1-2-6-15(7-3-1)14-20-16-9-11-17(12-10-16)21-18-8-4-5-13-19-18/h1-3,6-7,9-12,18H,4-5,8,13-14H2
InChIKeyMOFJJBOIEHDUQL-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
(2S)-2-phenoxyoxolane
CID 86339377
(2R)-2-phenoxyoxolane
CID 86339376
2-phenoxyoxolane
CID 11030163
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
4-(oxan-2-yloxy)phenol
CID 11745519
[4-(oxan-2-yloxy)phenyl]-diphenylsilane
CID 174039568
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol
CID 70836225
2-(4-ethenylphenoxy)oxane;styrene
CID 161099420

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenoxy)oxane?
The IUPAC name of 2-(4-phenylmethoxyphenoxy)oxane (CID 11076959) is 2-(4-phenylmethoxyphenoxy)oxane.
What is the SMILES notation for 2-(4-phenylmethoxyphenoxy)oxane?
The canonical SMILES for 2-(4-phenylmethoxyphenoxy)oxane is c1ccc(COc2ccc(OC3CCCCO3)cc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenoxy)oxane?
The InChIKey is MOFJJBOIEHDUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-6-15(7-3-1)14-20-16-9-11-17(12-10-16)21-18-8-4-5-13-19-18/h1-3,6-7,9-12,18H,4-5,8,13-14H2.
What are the key properties of 2-(4-phenylmethoxyphenoxy)oxane?
2-(4-phenylmethoxyphenoxy)oxane has a molecular weight of 284.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenoxy)oxane is sourced from PubChem (CID 11076959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).