5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol

C13H18N2O3 — CID 135691135

IUPAC5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol
SMILESCOc1ccc(/C(C)=N/N2CCOCC2)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-10(14-15-5-7-18-8-6-15)12-4-3-11(17-2)9-13(12)16/h3-4,9,16H,5-8H2,1-2H3/b14-10+
InChIKeyJCFWNUQJKOHCFE-GXDHUFHOSA-N
MW250.30 g/mol
LogP1.46
Rot. Bonds3

About 5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol

5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol (PubChem CID 135691135) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol
PubChem CID135691135
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol
SMILESCOc1ccc(/C(C)=N/N2CCOCC2)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-10(14-15-5-7-18-8-6-15)12-4-3-11(17-2)9-13(12)16/h3-4,9,16H,5-8H2,1-2H3/b14-10+
InChIKeyJCFWNUQJKOHCFE-GXDHUFHOSA-N
XLogP1.46
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol?
The IUPAC name of 5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol (CID 135691135) is 5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol?
The canonical SMILES for 5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol is COc1ccc(/C(C)=N/N2CCOCC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol?
The InChIKey is JCFWNUQJKOHCFE-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(14-15-5-7-18-8-6-15)12-4-3-11(17-2)9-13(12)16/h3-4,9,16H,5-8H2,1-2H3/b14-10+.
What are the key properties of 5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol?
5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol has a molecular weight of 250.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]phenol is sourced from PubChem (CID 135691135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).