2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol

C12H16N2O3 — CID 135521603

IUPAC2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol
SMILESCOc1cccc(/C=N/N2CCOCC2)c1O
InChIInChI=1S/C12H16N2O3/c1-16-11-4-2-3-10(12(11)15)9-13-14-5-7-17-8-6-14/h2-4,9,15H,5-8H2,1H3/b13-9+
InChIKeyQYEXKEWMMNEUAN-UKTHLTGXSA-N
MW236.27 g/mol
LogP1.07
Rot. Bonds3

About 2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol

2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol (PubChem CID 135521603) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol
PubChem CID135521603
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol
SMILESCOc1cccc(/C=N/N2CCOCC2)c1O
InChIInChI=1S/C12H16N2O3/c1-16-11-4-2-3-10(12(11)15)9-13-14-5-7-17-8-6-14/h2-4,9,15H,5-8H2,1H3/b13-9+
InChIKeyQYEXKEWMMNEUAN-UKTHLTGXSA-N
XLogP1.07
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.07
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 2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol (CID 135521603) is 2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol is COc1cccc(/C=N/N2CCOCC2)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol?
The InChIKey is QYEXKEWMMNEUAN-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-11-4-2-3-10(12(11)15)9-13-14-5-7-17-8-6-14/h2-4,9,15H,5-8H2,1H3/b13-9+.
What are the key properties of 2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol?
2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol has a molecular weight of 236.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-morpholin-4-yliminomethyl]phenol is sourced from PubChem (CID 135521603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).