4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine

C14H19NO3 — CID 56991316

IUPAC4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine
SMILESC1=c2occ(OCCN3CCOCC3)c2=CCC1
InChIInChI=1S/C14H19NO3/c1-2-4-13-12(3-1)14(11-18-13)17-10-7-15-5-8-16-9-6-15/h3-4,11H,1-2,5-10H2
InChIKeyVLDANEINAGLHOL-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.35
Rot. Bonds4

About 4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine

4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine (PubChem CID 56991316) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine
PubChem CID56991316
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine
SMILESC1=c2occ(OCCN3CCOCC3)c2=CCC1
InChIInChI=1S/C14H19NO3/c1-2-4-13-12(3-1)14(11-18-13)17-10-7-15-5-8-16-9-6-15/h3-4,11H,1-2,5-10H2
InChIKeyVLDANEINAGLHOL-UHFFFAOYSA-N
XLogP0.35
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine?
The IUPAC name of 4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine (CID 56991316) is 4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine is C1=c2occ(OCCN3CCOCC3)c2=CCC1.
What is the InChIKey of 4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine?
The InChIKey is VLDANEINAGLHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-4-13-12(3-1)14(11-18-13)17-10-7-15-5-8-16-9-6-15/h3-4,11H,1-2,5-10H2.
What are the key properties of 4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine?
4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine has a molecular weight of 249.31 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,6-dihydro-1-benzofuran-3-yloxy)ethyl]morpholine is sourced from PubChem (CID 56991316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).