4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine

C32H28N4O4 — CID 139088925

IUPAC4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine
SMILESCOc1cc(/C=N/c2ccc(/N=C/c3ccc(O)c(OC)c3)cc2)ccc1O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C22H20N2O4.C10H8N2/c1-27-21-11-15(3-9-19(21)25)13-23-17-5-7-18(8-6-17)24-14-16-4-10-20(26)22(12-16)28-2;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h3-14,25-26H,1-2H3;1-8H/b23-13+,24-14+;
InChIKeyCNXBLXXHVVQGBG-XSEMBQBTSA-N
MW532.60 g/mol
LogP6.76
Rot. Bonds7

About 4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine

4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine (PubChem CID 139088925) has the molecular formula C32H28N4O4 and a molecular weight of 532.60 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine
PubChem CID139088925
Molecular FormulaC32H28N4O4
Molecular Weight532.60 g/mol
Exact Mass532.21
IUPAC Name4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine
SMILESCOc1cc(/C=N/c2ccc(/N=C/c3ccc(O)c(OC)c3)cc2)ccc1O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C22H20N2O4.C10H8N2/c1-27-21-11-15(3-9-19(21)25)13-23-17-5-7-18(8-6-17)24-14-16-4-10-20(26)22(12-16)28-2;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h3-14,25-26H,1-2H3;1-8H/b23-13+,24-14+;
InChIKeyCNXBLXXHVVQGBG-XSEMBQBTSA-N
XLogP6.76
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
2-methoxy-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 769823
N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine
CID 146322916
4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
CID 681301
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol
CID 3284679
4-[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]anilino]-4-oxobutanoic acid
CID 135813467
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 964993
2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 5155606
4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 693352
4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 620472
4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
CID 136828234

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine?
The IUPAC name of 4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine (CID 139088925) is 4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine.
What is the SMILES notation for 4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine?
The canonical SMILES for 4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine is COc1cc(/C=N/c2ccc(/N=C/c3ccc(O)c(OC)c3)cc2)ccc1O.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine?
The InChIKey is CNXBLXXHVVQGBG-XSEMBQBTSA-N. The full InChI is InChI=1S/C22H20N2O4.C10H8N2/c1-27-21-11-15(3-9-19(21)25)13-23-17-5-7-18(8-6-17)24-14-16-4-10-20(26)22(12-16)28-2;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h3-14,25-26H,1-2H3;1-8H/b23-13+,24-14+;.
What are the key properties of 4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine?
4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine has a molecular weight of 532.60 g/mol, XLogP of 6.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine is sourced from PubChem (CID 139088925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).