4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol

C17H18N2O3 — CID 790984

IUPAC4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c1
InChIInChI=1S/C17H18N2O3/c20-16-6-1-13(17(21)11-16)12-18-14-2-4-15(5-3-14)19-7-9-22-10-8-19/h1-6,11-12,20-21H,7-10H2/b18-12+
InChIKeyFVFRURDAEAIGGF-LDADJPATSA-N
MW298.34 g/mol
LogP2.68
Rot. Bonds3

About 4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol

4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol (PubChem CID 790984) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol
PubChem CID790984
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c1
InChIInChI=1S/C17H18N2O3/c20-16-6-1-13(17(21)11-16)12-18-14-2-4-15(5-3-14)19-7-9-22-10-8-19/h1-6,11-12,20-21H,7-10H2/b18-12+
InChIKeyFVFRURDAEAIGGF-LDADJPATSA-N
XLogP2.68
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol (CID 790984) is 4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol is Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c1.
What is the InChIKey of 4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol?
The InChIKey is FVFRURDAEAIGGF-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16-6-1-13(17(21)11-16)12-18-14-2-4-15(5-3-14)19-7-9-22-10-8-19/h1-6,11-12,20-21H,7-10H2/b18-12+.
What are the key properties of 4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol?
4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol has a molecular weight of 298.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-morpholin-4-ylphenyl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 790984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).