4-chloro-2-(morpholin-4-yliminomethyl)phenol

C11H13ClN2O2 — CID 3317737

IUPAC4-chloro-2-(morpholin-4-yliminomethyl)phenol
SMILESOc1ccc(Cl)cc1C=NN1CCOCC1
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
InChIKeyJDHKDKWQSACEPQ-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.71
Rot. Bonds2

About 4-chloro-2-(morpholin-4-yliminomethyl)phenol

4-chloro-2-(morpholin-4-yliminomethyl)phenol (PubChem CID 3317737) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-chloro-2-(morpholin-4-yliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(morpholin-4-yliminomethyl)phenol
PubChem CID3317737
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-chloro-2-(morpholin-4-yliminomethyl)phenol
SMILESOc1ccc(Cl)cc1C=NN1CCOCC1
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
InChIKeyJDHKDKWQSACEPQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(morpholin-4-yliminomethyl)phenol?
The IUPAC name of 4-chloro-2-(morpholin-4-yliminomethyl)phenol (CID 3317737) is 4-chloro-2-(morpholin-4-yliminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-(morpholin-4-yliminomethyl)phenol?
The canonical SMILES for 4-chloro-2-(morpholin-4-yliminomethyl)phenol is Oc1ccc(Cl)cc1C=NN1CCOCC1.
What is the InChIKey of 4-chloro-2-(morpholin-4-yliminomethyl)phenol?
The InChIKey is JDHKDKWQSACEPQ-UHFFFAOYSA-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.
What are the key properties of 4-chloro-2-(morpholin-4-yliminomethyl)phenol?
4-chloro-2-(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-(morpholin-4-yliminomethyl)phenol is sourced from PubChem (CID 3317737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).