4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one

C15H16O5 — CID 141356923

IUPAC4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one
SMILESC=C(Oc1ccc(OC)cc1)c1oc(=O)oc1CCC
InChIInChI=1S/C15H16O5/c1-4-5-13-14(20-15(16)19-13)10(2)18-12-8-6-11(17-3)7-9-12/h6-9H,2,4-5H2,1,3H3
InChIKeyLFTKBRBJSLQLOM-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.24
Rot. Bonds6

About 4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one

4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one (PubChem CID 141356923) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one
PubChem CID141356923
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one
SMILESC=C(Oc1ccc(OC)cc1)c1oc(=O)oc1CCC
InChIInChI=1S/C15H16O5/c1-4-5-13-14(20-15(16)19-13)10(2)18-12-8-6-11(17-3)7-9-12/h6-9H,2,4-5H2,1,3H3
InChIKeyLFTKBRBJSLQLOM-UHFFFAOYSA-N
XLogP3.24
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one?
The IUPAC name of 4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one (CID 141356923) is 4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one?
The canonical SMILES for 4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one is C=C(Oc1ccc(OC)cc1)c1oc(=O)oc1CCC.
What is the InChIKey of 4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one?
The InChIKey is LFTKBRBJSLQLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-4-5-13-14(20-15(16)19-13)10(2)18-12-8-6-11(17-3)7-9-12/h6-9H,2,4-5H2,1,3H3.
What are the key properties of 4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one?
4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one has a molecular weight of 276.29 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one is sourced from PubChem (CID 141356923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).