2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol

C13H16Cl2N2O2 — CID 137248424

IUPAC2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol
SMILESCC/C(=N\N1CCOCC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H16Cl2N2O2/c1-2-12(16-17-3-5-19-6-4-17)10-7-9(14)8-11(15)13(10)18/h7-8,18H,2-6H2,1H3/b16-12+
InChIKeySHVCRGIGSGOUOI-FOWTUZBSSA-N
MW303.19 g/mol
LogP3.15
Rot. Bonds3

About 2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol

2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol (PubChem CID 137248424) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol
PubChem CID137248424
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol
SMILESCC/C(=N\N1CCOCC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H16Cl2N2O2/c1-2-12(16-17-3-5-19-6-4-17)10-7-9(14)8-11(15)13(10)18/h7-8,18H,2-6H2,1H3/b16-12+
InChIKeySHVCRGIGSGOUOI-FOWTUZBSSA-N
XLogP3.15
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.15
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 2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol (CID 137248424) is 2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol is CC/C(=N\N1CCOCC1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol?
The InChIKey is SHVCRGIGSGOUOI-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-2-12(16-17-3-5-19-6-4-17)10-7-9(14)8-11(15)13(10)18/h7-8,18H,2-6H2,1H3/b16-12+.
What are the key properties of 2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol?
2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol has a molecular weight of 303.19 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-C-ethyl-N-morpholin-4-ylcarbonimidoyl]phenol is sourced from PubChem (CID 137248424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).