4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol

C21H20N2O2 — CID 4245483

IUPAC4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C21H20N2O2/c1-25-21-14-18(12-13-20(21)24)15-22-23(19-10-6-3-7-11-19)16-17-8-4-2-5-9-17/h2-15,24H,16H2,1H3
InChIKeyWTFGLZMBYYCDTL-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.44
Rot. Bonds6

About 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol

4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 4245483) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID4245483
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C21H20N2O2/c1-25-21-14-18(12-13-20(21)24)15-22-23(19-10-6-3-7-11-19)16-17-8-4-2-5-9-17/h2-15,24H,16H2,1H3
InChIKeyWTFGLZMBYYCDTL-UHFFFAOYSA-N
XLogP4.44
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
CID 3415919
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659
N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
CID 6047667
4-[(N-benzylanilino)methyl]-2-methoxyphenol
CID 174576798
N-benzyl-N-[(E)-(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 50887236
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline
CID 4065737
4-[benzyl(methylsulfonyl)amino]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135951620
2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol
CID 136947963
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415
N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
CID 53376390
4-[(E)-[(1,1-dioxo-1,2-benzothiazol-3-yl)-ethylhydrazinylidene]methyl]-2-methoxyphenol
CID 137211792
methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 5053665

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol (CID 4245483) is 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol is COc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1O.
What is the InChIKey of 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is WTFGLZMBYYCDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-21-14-18(12-13-20(21)24)15-22-23(19-10-6-3-7-11-19)16-17-8-4-2-5-9-17/h2-15,24H,16H2,1H3.
What are the key properties of 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol?
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 332.40 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 4245483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).