4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol

C18H20N2O2 — CID 136704588

IUPAC4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(C=NNCc2ccccc2)cc(OC)c1O
InChIInChI=1S/C18H20N2O2/c1-3-7-16-10-15(11-17(22-2)18(16)21)13-20-19-12-14-8-5-4-6-9-14/h3-6,8-11,13,19,21H,1,7,12H2,2H3
InChIKeyXQVAISDUJWDBIJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.25
Rot. Bonds7

About 4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol

4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol (PubChem CID 136704588) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol.

Molecular Properties

Compound Name4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol
PubChem CID136704588
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(C=NNCc2ccccc2)cc(OC)c1O
InChIInChI=1S/C18H20N2O2/c1-3-7-16-10-15(11-17(22-2)18(16)21)13-20-19-12-14-8-5-4-6-9-14/h3-6,8-11,13,19,21H,1,7,12H2,2H3
InChIKeyXQVAISDUJWDBIJ-UHFFFAOYSA-N
XLogP3.25
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-prop-2-enyl-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 136704845
N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684476
N-(2-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]propanediamide
CID 135679858
N-(2-bromophenyl)-N'-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]propanediamide
CID 5136031
N-(2-fluorophenyl)-N'-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]butanediamide
CID 4561399
3-bromo-N-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide
CID 137149844
N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide
CID 135840005
2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine
CID 168592929
tert-butyl N-[(2S)-1-[(2Z)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 137120628
2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol
CID 137075508
3-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one;hydrochloride
CID 137120246
N-(2-bromophenyl)-N'-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-2-methylpropanediamide
CID 3636163

Frequently Asked Questions

What is the IUPAC name of 4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol?
The IUPAC name of 4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol (CID 136704588) is 4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol.
What is the SMILES notation for 4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol?
The canonical SMILES for 4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol is C=CCc1cc(C=NNCc2ccccc2)cc(OC)c1O.
What is the InChIKey of 4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol?
The InChIKey is XQVAISDUJWDBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-7-16-10-15(11-17(22-2)18(16)21)13-20-19-12-14-8-5-4-6-9-14/h3-6,8-11,13,19,21H,1,7,12H2,2H3.
What are the key properties of 4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol?
4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol has a molecular weight of 296.37 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol is sourced from PubChem (CID 136704588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).