4-(3-propan-2-ylphenoxy)oxane

C14H20O2 — CID 126724587

IUPAC4-(3-propan-2-ylphenoxy)oxane
SMILESCC(C)c1cccc(OC2CCOCC2)c1
InChIInChI=1S/C14H20O2/c1-11(2)12-4-3-5-14(10-12)16-13-6-8-15-9-7-13/h3-5,10-11,13H,6-9H2,1-2H3
InChIKeyWPEYDBDOWHXUEB-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.37
Rot. Bonds3

About 4-(3-propan-2-ylphenoxy)oxane

4-(3-propan-2-ylphenoxy)oxane (PubChem CID 126724587) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-(3-propan-2-ylphenoxy)oxane.

Molecular Properties

Compound Name4-(3-propan-2-ylphenoxy)oxane
PubChem CID126724587
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-(3-propan-2-ylphenoxy)oxane
SMILESCC(C)c1cccc(OC2CCOCC2)c1
InChIInChI=1S/C14H20O2/c1-11(2)12-4-3-5-14(10-12)16-13-6-8-15-9-7-13/h3-5,10-11,13H,6-9H2,1-2H3
InChIKeyWPEYDBDOWHXUEB-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 78955112
1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 63935830
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
2-[3-(oxan-4-yloxy)phenyl]propanoic acid
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(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 115005110
3-(3-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79618801
3-(3-propan-2-ylphenoxy)cyclobutan-1-one
CID 66366168
7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane
CID 163218689
3-amino-3-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 117417180
4-phenoxyoxane
CID 58483739
3-(3-propan-2-ylphenoxy)piperidine
CID 45075406

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylphenoxy)oxane?
The IUPAC name of 4-(3-propan-2-ylphenoxy)oxane (CID 126724587) is 4-(3-propan-2-ylphenoxy)oxane.
What is the SMILES notation for 4-(3-propan-2-ylphenoxy)oxane?
The canonical SMILES for 4-(3-propan-2-ylphenoxy)oxane is CC(C)c1cccc(OC2CCOCC2)c1.
What is the InChIKey of 4-(3-propan-2-ylphenoxy)oxane?
The InChIKey is WPEYDBDOWHXUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)12-4-3-5-14(10-12)16-13-6-8-15-9-7-13/h3-5,10-11,13H,6-9H2,1-2H3.
What are the key properties of 4-(3-propan-2-ylphenoxy)oxane?
4-(3-propan-2-ylphenoxy)oxane has a molecular weight of 220.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylphenoxy)oxane is sourced from PubChem (CID 126724587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).