2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol

C21H20N2O3 — CID 135774276

IUPAC2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
SMILESCOc1ccc(Nc2ccc(/N=C/c3cccc(OC)c3O)cc2)cc1
InChIInChI=1S/C21H20N2O3/c1-25-19-12-10-18(11-13-19)23-17-8-6-16(7-9-17)22-14-15-4-3-5-20(26-2)21(15)24/h3-14,23-24H,1-2H3/b22-14+
InChIKeyDALOBVAYVMZXEX-HYARGMPZSA-N
MW348.40 g/mol
LogP4.90
Rot. Bonds6

About 2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol

2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol (PubChem CID 135774276) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
PubChem CID135774276
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
SMILESCOc1ccc(Nc2ccc(/N=C/c3cccc(OC)c3O)cc2)cc1
InChIInChI=1S/C21H20N2O3/c1-25-19-12-10-18(11-13-19)23-17-8-6-16(7-9-17)22-14-15-4-3-5-20(26-2)21(15)24/h3-14,23-24H,1-2H3/b22-14+
InChIKeyDALOBVAYVMZXEX-HYARGMPZSA-N
XLogP4.90
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 137098219
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5055270
2-methoxy-6-[(E)-[[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135479360
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol (CID 135774276) is 2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol is COc1ccc(Nc2ccc(/N=C/c3cccc(OC)c3O)cc2)cc1.
What is the InChIKey of 2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol?
The InChIKey is DALOBVAYVMZXEX-HYARGMPZSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-19-12-10-18(11-13-19)23-17-8-6-16(7-9-17)22-14-15-4-3-5-20(26-2)21(15)24/h3-14,23-24H,1-2H3/b22-14+.
What are the key properties of 2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol?
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol has a molecular weight of 348.40 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135774276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).