2-methoxy-6-(4-methoxyphenyl)oxane

C13H18O3 — CID 68556423

IUPAC2-methoxy-6-(4-methoxyphenyl)oxane
SMILESCOc1ccc(C2CCCC(OC)O2)cc1
InChIInChI=1S/C13H18O3/c1-14-11-8-6-10(7-9-11)12-4-3-5-13(15-2)16-12/h6-9,12-13H,3-5H2,1-2H3
InChIKeyPLCGQWJEEXFEAU-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.91
Rot. Bonds3

About 2-methoxy-6-(4-methoxyphenyl)oxane

2-methoxy-6-(4-methoxyphenyl)oxane (PubChem CID 68556423) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-methoxy-6-(4-methoxyphenyl)oxane.

Molecular Properties

Compound Name2-methoxy-6-(4-methoxyphenyl)oxane
PubChem CID68556423
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-methoxy-6-(4-methoxyphenyl)oxane
SMILESCOc1ccc(C2CCCC(OC)O2)cc1
InChIInChI=1S/C13H18O3/c1-14-11-8-6-10(7-9-11)12-4-3-5-13(15-2)16-12/h6-9,12-13H,3-5H2,1-2H3
InChIKeyPLCGQWJEEXFEAU-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
CID 162820309
(2S,5R)-2-(4-fluorophenyl)-5-(4-methoxyphenyl)oxolane
CID 11807821
(2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 10944319
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 162348675
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458829
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
(2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane
CID 11207019
2-methoxy-5-(4-methoxyphenyl)-2,5-dihydrofuran
CID 135056905
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
2-(4-methoxyphenoxy)oxolane
CID 135060561

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(4-methoxyphenyl)oxane?
The IUPAC name of 2-methoxy-6-(4-methoxyphenyl)oxane (CID 68556423) is 2-methoxy-6-(4-methoxyphenyl)oxane.
What is the SMILES notation for 2-methoxy-6-(4-methoxyphenyl)oxane?
The canonical SMILES for 2-methoxy-6-(4-methoxyphenyl)oxane is COc1ccc(C2CCCC(OC)O2)cc1.
What is the InChIKey of 2-methoxy-6-(4-methoxyphenyl)oxane?
The InChIKey is PLCGQWJEEXFEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-14-11-8-6-10(7-9-11)12-4-3-5-13(15-2)16-12/h6-9,12-13H,3-5H2,1-2H3.
What are the key properties of 2-methoxy-6-(4-methoxyphenyl)oxane?
2-methoxy-6-(4-methoxyphenyl)oxane has a molecular weight of 222.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(4-methoxyphenyl)oxane is sourced from PubChem (CID 68556423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).