[1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate

C18H25FO5 — CID 22759299

IUPAC[1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate
SMILESCC(=O)OC(CCCOC1CCCCO1)COc1ccc(F)cc1
InChIInChI=1S/C18H25FO5/c1-14(20)24-17(13-23-16-9-7-15(19)8-10-16)5-4-12-22-18-6-2-3-11-21-18/h7-10,17-18H,2-6,11-13H2,1H3
InChIKeyVZZUVEMOFKFOLP-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.46
Rot. Bonds9

About [1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate

[1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate (PubChem CID 22759299) has the molecular formula C18H25FO5 and a molecular weight of 340.39 g/mol. Its IUPAC name is [1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate.

Molecular Properties

Compound Name[1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate
PubChem CID22759299
Molecular FormulaC18H25FO5
Molecular Weight340.39 g/mol
Exact Mass340.17
IUPAC Name[1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate
SMILESCC(=O)OC(CCCOC1CCCCO1)COc1ccc(F)cc1
InChIInChI=1S/C18H25FO5/c1-14(20)24-17(13-23-16-9-7-15(19)8-10-16)5-4-12-22-18-6-2-3-11-21-18/h7-10,17-18H,2-6,11-13H2,1H3
InChIKeyVZZUVEMOFKFOLP-UHFFFAOYSA-N
XLogP3.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate?
The IUPAC name of [1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate (CID 22759299) is [1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate.
What is the SMILES notation for [1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate?
The canonical SMILES for [1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate is CC(=O)OC(CCCOC1CCCCO1)COc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate?
The InChIKey is VZZUVEMOFKFOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO5/c1-14(20)24-17(13-23-16-9-7-15(19)8-10-16)5-4-12-22-18-6-2-3-11-21-18/h7-10,17-18H,2-6,11-13H2,1H3.
What are the key properties of [1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate?
[1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate has a molecular weight of 340.39 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenoxy)-5-(oxan-2-yloxy)pentan-2-yl] acetate is sourced from PubChem (CID 22759299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).