4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol

C11H13ClN2O2 — CID 135842388

IUPAC4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/N1CCOCC1
InChIInChI=1S/C11H13ClN2O2/c12-10-1-2-11(15)9(7-10)8-13-14-3-5-16-6-4-14/h1-2,7-8,15H,3-6H2/b13-8+
InChIKeyJDHKDKWQSACEPQ-MDWZMJQESA-N
MW240.69 g/mol
LogP1.71
Rot. Bonds2

About 4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol

4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol (PubChem CID 135842388) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol
PubChem CID135842388
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/N1CCOCC1
InChIInChI=1S/C11H13ClN2O2/c12-10-1-2-11(15)9(7-10)8-13-14-3-5-16-6-4-14/h1-2,7-8,15H,3-6H2/b13-8+
InChIKeyJDHKDKWQSACEPQ-MDWZMJQESA-N
XLogP1.71
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol
CID 2488346
4-[(Z)-morpholin-4-yliminomethyl]benzene-1,3-diol
CID 136904662
2-[(Z)-morpholin-4-yliminomethyl]-4-nitrophenol
CID 135726926
4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol
CID 135964584
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818068
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508
1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine
CID 23791709
2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol
CID 135537509
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596199
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol
CID 136795193

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol (CID 135842388) is 4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/N1CCOCC1.
What is the InChIKey of 4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol?
The InChIKey is JDHKDKWQSACEPQ-MDWZMJQESA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-1-2-11(15)9(7-10)8-13-14-3-5-16-6-4-14/h1-2,7-8,15H,3-6H2/b13-8+.
What are the key properties of 4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol?
4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol has a molecular weight of 240.69 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol is sourced from PubChem (CID 135842388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).