4-[(E)-morpholin-4-yliminomethyl]phenol

C11H14N2O2 — CID 135560806

IUPAC4-[(E)-morpholin-4-yliminomethyl]phenol
SMILESOc1ccc(/C=N/N2CCOCC2)cc1
InChIInChI=1S/C11H14N2O2/c14-11-3-1-10(2-4-11)9-12-13-5-7-15-8-6-13/h1-4,9,14H,5-8H2/b12-9+
InChIKeyDLIKRVLDOAZCBJ-FMIVXFBMSA-N
MW206.25 g/mol
LogP1.06
Rot. Bonds2

About 4-[(E)-morpholin-4-yliminomethyl]phenol

4-[(E)-morpholin-4-yliminomethyl]phenol (PubChem CID 135560806) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-[(E)-morpholin-4-yliminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-morpholin-4-yliminomethyl]phenol
PubChem CID135560806
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-[(E)-morpholin-4-yliminomethyl]phenol
SMILESOc1ccc(/C=N/N2CCOCC2)cc1
InChIInChI=1S/C11H14N2O2/c14-11-3-1-10(2-4-11)9-12-13-5-7-15-8-6-13/h1-4,9,14H,5-8H2/b12-9+
InChIKeyDLIKRVLDOAZCBJ-FMIVXFBMSA-N
XLogP1.06
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-morpholin-4-yliminomethyl]phenol?
The IUPAC name of 4-[(E)-morpholin-4-yliminomethyl]phenol (CID 135560806) is 4-[(E)-morpholin-4-yliminomethyl]phenol.
What is the SMILES notation for 4-[(E)-morpholin-4-yliminomethyl]phenol?
The canonical SMILES for 4-[(E)-morpholin-4-yliminomethyl]phenol is Oc1ccc(/C=N/N2CCOCC2)cc1.
What is the InChIKey of 4-[(E)-morpholin-4-yliminomethyl]phenol?
The InChIKey is DLIKRVLDOAZCBJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11-3-1-10(2-4-11)9-12-13-5-7-15-8-6-13/h1-4,9,14H,5-8H2/b12-9+.
What are the key properties of 4-[(E)-morpholin-4-yliminomethyl]phenol?
4-[(E)-morpholin-4-yliminomethyl]phenol has a molecular weight of 206.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-morpholin-4-yliminomethyl]phenol is sourced from PubChem (CID 135560806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).