oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate

C16H20O5 — CID 86976925

IUPACoxan-2-ylmethyl 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC2CCCCO2)cc1
InChIInChI=1S/C16H20O5/c1-12(17)13-5-7-14(8-6-13)20-11-16(18)21-10-15-4-2-3-9-19-15/h5-8,15H,2-4,9-11H2,1H3
InChIKeyVBODMXRRPSMZST-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.38
Rot. Bonds6

About oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate

oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate (PubChem CID 86976925) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 2-(4-acetylphenoxy)acetate
PubChem CID86976925
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Nameoxan-2-ylmethyl 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC2CCCCO2)cc1
InChIInChI=1S/C16H20O5/c1-12(17)13-5-7-14(8-6-13)20-11-16(18)21-10-15-4-2-3-9-19-15/h5-8,15H,2-4,9-11H2,1H3
InChIKeyVBODMXRRPSMZST-UHFFFAOYSA-N
XLogP2.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-2-ylmethyl 2-(4-bromophenoxy)acetate
CID 78769379
2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide
CID 77089115
oxan-2-ylmethyl 4-phenoxybutanoate
CID 78788814
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61308131
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
oxan-2-ylmethyl 2-cyclohexyloxyacetate
CID 78888478
(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24690511
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate
CID 9291487
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate?
The IUPAC name of oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate (CID 86976925) is oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate?
The canonical SMILES for oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate is CC(=O)c1ccc(OCC(=O)OCC2CCCCO2)cc1.
What is the InChIKey of oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate?
The InChIKey is VBODMXRRPSMZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-12(17)13-5-7-14(8-6-13)20-11-16(18)21-10-15-4-2-3-9-19-15/h5-8,15H,2-4,9-11H2,1H3.
What are the key properties of oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate?
oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate has a molecular weight of 292.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 86976925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).