2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol

C17H18N2O2 — CID 137185570

IUPAC2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(C=NNCc2ccccc2O)c1O
InChIInChI=1S/C17H18N2O2/c1-2-6-13-8-5-9-15(17(13)21)12-19-18-11-14-7-3-4-10-16(14)20/h2-5,7-10,12,18,20-21H,1,6,11H2
InChIKeyWTBKAPVYGZJLTD-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.95
Rot. Bonds6

About 2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol

2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol (PubChem CID 137185570) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol
PubChem CID137185570
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(C=NNCc2ccccc2O)c1O
InChIInChI=1S/C17H18N2O2/c1-2-6-13-8-5-9-15(17(13)21)12-19-18-11-14-7-3-4-10-16(14)20/h2-5,7-10,12,18,20-21H,1,6,11H2
InChIKeyWTBKAPVYGZJLTD-UHFFFAOYSA-N
XLogP2.95
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', '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-[[(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 2279280
2-[(Z)-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 136912023
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol
CID 2863759
2-[(Z)-[(4-methoxyphenyl)hydrazinylidene]methyl]-6-prop-2-enylphenol
CID 136919154
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 136663063
2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol
CID 135590896
5-bromo-2-hydroxy-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 1120113
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 135472749
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 5056113
N-(4-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide
CID 136822704

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol?
The IUPAC name of 2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol (CID 137185570) is 2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol is C=CCc1cccc(C=NNCc2ccccc2O)c1O.
What is the InChIKey of 2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol?
The InChIKey is WTBKAPVYGZJLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-6-13-8-5-9-15(17(13)21)12-19-18-11-14-7-3-4-10-16(14)20/h2-5,7-10,12,18,20-21H,1,6,11H2.
What are the key properties of 2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol?
2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol has a molecular weight of 282.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol is sourced from PubChem (CID 137185570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).