2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol

C18H20N2O3 — CID 785168

IUPAC2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1O
InChIInChI=1S/C18H20N2O3/c1-22-17-4-2-3-14(18(17)21)13-19-15-5-7-16(8-6-15)20-9-11-23-12-10-20/h2-8,13,21H,9-12H2,1H3/b19-13+
InChIKeyKFEMFCMBGOWSRW-CPNJWEJPSA-N
MW312.37 g/mol
LogP2.99
Rot. Bonds4

About 2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol

2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol (PubChem CID 785168) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
PubChem CID785168
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1O
InChIInChI=1S/C18H20N2O3/c1-22-17-4-2-3-14(18(17)21)13-19-15-5-7-16(8-6-15)20-9-11-23-12-10-20/h2-8,13,21H,9-12H2,1H3/b19-13+
InChIKeyKFEMFCMBGOWSRW-CPNJWEJPSA-N
XLogP2.99
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
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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Related Compounds

2-[[4-(4-benzylpiperazin-1-yl)phenyl]iminomethyl]-6-methoxyphenol
CID 135855141
2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol
CID 135758653
methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126245259
2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 137125019
2-methoxy-6-(2-morpholin-4-ylethyliminomethyl)phenol
CID 4072556
1-(2-methoxy-4-morpholin-4-ylphenyl)-N-(3-methylphenyl)methanimine
CID 126238269
2-[(E)-[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135603180
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2842064
2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3091862
2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]-3-nitrophenol
CID 135799655
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol (CID 785168) is 2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol is COc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1O.
What is the InChIKey of 2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
The InChIKey is KFEMFCMBGOWSRW-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-17-4-2-3-14(18(17)21)13-19-15-5-7-16(8-6-15)20-9-11-23-12-10-20/h2-8,13,21H,9-12H2,1H3/b19-13+.
What are the key properties of 2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol has a molecular weight of 312.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol is sourced from PubChem (CID 785168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).