[1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate

C16H22O5 — CID 91428656

IUPAC[1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate
SMILESCC(=O)OC(COc1ccccc1)COC1CCCCO1
InChIInChI=1S/C16H22O5/c1-13(17)21-15(11-19-14-7-3-2-4-8-14)12-20-16-9-5-6-10-18-16/h2-4,7-8,15-16H,5-6,9-12H2,1H3
InChIKeyMIBXLVQARHKJQH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.54
Rot. Bonds7

About [1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate

[1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate (PubChem CID 91428656) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is [1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate
PubChem CID91428656
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name[1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate
SMILESCC(=O)OC(COc1ccccc1)COC1CCCCO1
InChIInChI=1S/C16H22O5/c1-13(17)21-15(11-19-14-7-3-2-4-8-14)12-20-16-9-5-6-10-18-16/h2-4,7-8,15-16H,5-6,9-12H2,1H3
InChIKeyMIBXLVQARHKJQH-UHFFFAOYSA-N
XLogP2.54
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate
CID 22759299
[(2R)-1-(oxan-2-yloxy)-3-phenylsulfanylpropan-2-yl] 3-oxobutanoate
CID 46854835
[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate
CID 163634845
2-(2-phenoxyethoxy)oxane
CID 11736193
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate
CID 11759173
[(3R,4R,5R,6R)-4,5,6-tribenzoyloxy-7-(oxan-2-yloxy)heptan-3-yl] benzoate
CID 90294852
2-(4-phenoxybut-2-ynoxy)oxane
CID 19849494
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
[(2R)-1-cyano-3-phenoxypropan-2-yl] acetate
CID 101129348
7-[5-hydroxy-3-(oxan-2-yloxy)-2-[2-(oxan-2-yloxy)-3-phenoxypropoxy]cyclopentyl]heptanoic acid
CID 70390140
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate?
The IUPAC name of [1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate (CID 91428656) is [1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate.
What is the SMILES notation for [1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate?
The canonical SMILES for [1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate is CC(=O)OC(COc1ccccc1)COC1CCCCO1.
What is the InChIKey of [1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate?
The InChIKey is MIBXLVQARHKJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-13(17)21-15(11-19-14-7-3-2-4-8-14)12-20-16-9-5-6-10-18-16/h2-4,7-8,15-16H,5-6,9-12H2,1H3.
What are the key properties of [1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate?
[1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate has a molecular weight of 294.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate is sourced from PubChem (CID 91428656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).