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

C18H19IN2O3 — CID 137125019

IUPAC2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
SMILESCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(I)c1O
InChIInChI=1S/C18H19IN2O3/c1-23-17-11-13(10-16(19)18(17)22)12-20-14-2-4-15(5-3-14)21-6-8-24-9-7-21/h2-5,10-12,22H,6-9H2,1H3/b20-12+
InChIKeySIWCDJLEDNTEMN-UDWIEESQSA-N
MW438.27 g/mol
LogP3.59
Rot. Bonds4

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

2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol (PubChem CID 137125019) has the molecular formula C18H19IN2O3 and a molecular weight of 438.27 g/mol. Its IUPAC name is 2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
PubChem CID137125019
Molecular FormulaC18H19IN2O3
Molecular Weight438.27 g/mol
Exact Mass438.04
IUPAC Name2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
SMILESCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(I)c1O
InChIInChI=1S/C18H19IN2O3/c1-23-17-11-13(10-16(19)18(17)22)12-20-14-2-4-15(5-3-14)21-6-8-24-9-7-21/h2-5,10-12,22H,6-9H2,1H3/b20-12+
InChIKeySIWCDJLEDNTEMN-UDWIEESQSA-N
XLogP3.59
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 53.59
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
2-ethoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135812320
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
CID 137149832
2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol
CID 137149845
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] furan-2-carboxylate
CID 23789735
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate
CID 1124788
1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 1275998
methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126245259
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 23738973

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
The IUPAC name of 2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol (CID 137125019) is 2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol is COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(I)c1O.
What is the InChIKey of 2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
The InChIKey is SIWCDJLEDNTEMN-UDWIEESQSA-N. The full InChI is InChI=1S/C18H19IN2O3/c1-23-17-11-13(10-16(19)18(17)22)12-20-14-2-4-15(5-3-14)21-6-8-24-9-7-21/h2-5,10-12,22H,6-9H2,1H3/b20-12+.
What are the key properties of 2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol has a molecular weight of 438.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol is sourced from PubChem (CID 137125019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).