4-methoxy-2,5-bis(phenyliminomethyl)phenol

C21H18N2O2 — CID 136671201

IUPAC4-methoxy-2,5-bis(phenyliminomethyl)phenol
SMILESCOc1cc(/C=N/c2ccccc2)c(O)cc1/C=N/c1ccccc1
InChIInChI=1S/C21H18N2O2/c1-25-21-13-16(14-22-18-8-4-2-5-9-18)20(24)12-17(21)15-23-19-10-6-3-7-11-19/h2-15,24H,1H3/b22-14+,23-15+
InChIKeyVNFJBIGLHMVNOK-HOFJZWJUSA-N
MW330.39 g/mol
LogP4.90
Rot. Bonds5

About 4-methoxy-2,5-bis(phenyliminomethyl)phenol

4-methoxy-2,5-bis(phenyliminomethyl)phenol (PubChem CID 136671201) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-methoxy-2,5-bis(phenyliminomethyl)phenol.

Molecular Properties

Compound Name4-methoxy-2,5-bis(phenyliminomethyl)phenol
PubChem CID136671201
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name4-methoxy-2,5-bis(phenyliminomethyl)phenol
SMILESCOc1cc(/C=N/c2ccccc2)c(O)cc1/C=N/c1ccccc1
InChIInChI=1S/C21H18N2O2/c1-25-21-13-16(14-22-18-8-4-2-5-9-18)20(24)12-17(21)15-23-19-10-6-3-7-11-19/h2-15,24H,1H3/b22-14+,23-15+
InChIKeyVNFJBIGLHMVNOK-HOFJZWJUSA-N
XLogP4.90
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2,5-bis(phenyliminomethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
CID 21342767
[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 1381574
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 4506437
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
CID 136504823
CID 136504823
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine
CID 10582546
2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol
CID 137266716

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-bis(phenyliminomethyl)phenol?
The IUPAC name of 4-methoxy-2,5-bis(phenyliminomethyl)phenol (CID 136671201) is 4-methoxy-2,5-bis(phenyliminomethyl)phenol.
What is the SMILES notation for 4-methoxy-2,5-bis(phenyliminomethyl)phenol?
The canonical SMILES for 4-methoxy-2,5-bis(phenyliminomethyl)phenol is COc1cc(/C=N/c2ccccc2)c(O)cc1/C=N/c1ccccc1.
What is the InChIKey of 4-methoxy-2,5-bis(phenyliminomethyl)phenol?
The InChIKey is VNFJBIGLHMVNOK-HOFJZWJUSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-25-21-13-16(14-22-18-8-4-2-5-9-18)20(24)12-17(21)15-23-19-10-6-3-7-11-19/h2-15,24H,1H3/b22-14+,23-15+.
What are the key properties of 4-methoxy-2,5-bis(phenyliminomethyl)phenol?
4-methoxy-2,5-bis(phenyliminomethyl)phenol has a molecular weight of 330.39 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-bis(phenyliminomethyl)phenol is sourced from PubChem (CID 136671201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).