4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine

C13H19NO3 — CID 163276565

IUPAC4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine
SMILESCOCCOCCN1CCOc2ccccc21
InChIInChI=1S/C13H19NO3/c1-15-10-11-16-8-6-14-7-9-17-13-5-3-2-4-12(13)14/h2-5H,6-11H2,1H3
InChIKeyQXPSFIZTBJQXLS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.55
Rot. Bonds6

About 4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine

4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine (PubChem CID 163276565) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine
PubChem CID163276565
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine
SMILESCOCCOCCN1CCOc2ccccc21
InChIInChI=1S/C13H19NO3/c1-15-10-11-16-8-6-14-7-9-17-13-5-3-2-4-12(13)14/h2-5H,6-11H2,1H3
InChIKeyQXPSFIZTBJQXLS-UHFFFAOYSA-N
XLogP1.55
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine (CID 163276565) is 4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine is COCCOCCN1CCOc2ccccc21.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine?
The InChIKey is QXPSFIZTBJQXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-10-11-16-8-6-14-7-9-17-13-5-3-2-4-12(13)14/h2-5H,6-11H2,1H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine?
4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine has a molecular weight of 237.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 163276565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).