2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol

C27H26N4O3 — CID 135879390

IUPAC2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2nnc(-c3ccc(C)cc3)cc2Cc2ccccc2OC)ccc1O
InChIInChI=1S/C27H26N4O3/c1-18-8-11-20(12-9-18)23-16-22(15-21-6-4-5-7-25(21)33-2)27(31-29-23)30-28-17-19-10-13-24(32)26(14-19)34-3/h4-14,16-17,32H,15H2,1-3H3,(H,30,31)/b28-17+
InChIKeyFBFKGHRKRYXNHB-OGLMXYFKSA-N
MW454.53 g/mol
LogP5.21
Rot. Bonds8

About 2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol

2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol (PubChem CID 135879390) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol
PubChem CID135879390
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2nnc(-c3ccc(C)cc3)cc2Cc2ccccc2OC)ccc1O
InChIInChI=1S/C27H26N4O3/c1-18-8-11-20(12-9-18)23-16-22(15-21-6-4-5-7-25(21)33-2)27(31-29-23)30-28-17-19-10-13-24(32)26(14-19)34-3/h4-14,16-17,32H,15H2,1-3H3,(H,30,31)/b28-17+
InChIKeyFBFKGHRKRYXNHB-OGLMXYFKSA-N
XLogP5.21
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-[2-[2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]methyl]phenoxy]ethoxy]benzaldehyde
CID 42632627
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
(3Z)-3-[[4-[(2-methoxyphenyl)methyl]-6-phenylpyridazin-3-yl]hydrazinylidene]butan-2-one
CID 42631799
(2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 42630942
2-methoxy-4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411435
2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol
CID 135613084
4-[(E)-[[2-(4-bromophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135411545
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135777345
[(6E)-2,3,4,5-tetraacetyloxy-6-[[6-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexyl] acetate
CID 45272912
6-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 135504468
6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 2841509
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol (CID 135879390) is 2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2nnc(-c3ccc(C)cc3)cc2Cc2ccccc2OC)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol?
The InChIKey is FBFKGHRKRYXNHB-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-18-8-11-20(12-9-18)23-16-22(15-21-6-4-5-7-25(21)33-2)27(31-29-23)30-28-17-19-10-13-24(32)26(14-19)34-3/h4-14,16-17,32H,15H2,1-3H3,(H,30,31)/b28-17+.
What are the key properties of 2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol?
2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol has a molecular weight of 454.53 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135879390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).