2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol

C16H16Cl2N2O2 — CID 137316385

IUPAC2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol
SMILESCCOc1ccc(/C=N/NCc2ccc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C16H16Cl2N2O2/c1-2-22-13-5-4-12(16(21)8-13)10-20-19-9-11-3-6-14(17)15(18)7-11/h3-8,10,19,21H,2,9H2,1H3/b20-10+
InChIKeyLDGANVFQUSSQNM-KEBDBYFISA-N
MW339.22 g/mol
LogP4.22
Rot. Bonds6

About 2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol

2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol (PubChem CID 137316385) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol
PubChem CID137316385
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol
SMILESCCOc1ccc(/C=N/NCc2ccc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C16H16Cl2N2O2/c1-2-22-13-5-4-12(16(21)8-13)10-20-19-9-11-3-6-14(17)15(18)7-11/h3-8,10,19,21H,2,9H2,1H3/b20-10+
InChIKeyLDGANVFQUSSQNM-KEBDBYFISA-N
XLogP4.22
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137316429
2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
CID 135476499
2-(3,4-dichlorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
CID 136648925
2-(3,4-dichlorophenyl)-N-[2-(4-methanimidoyl-3-methoxyphenoxy)ethyl]ethanamine
CID 141935598
N-[(3,4-dichlorophenyl)methyl]-2-(4-methanimidoyl-3-methoxyphenoxy)ethanamine
CID 141935758
4-chloro-2-[(E)-[(4-phenylmethoxyphenyl)methylhydrazinylidene]methyl]phenol
CID 143199925
[[4-[(4-Chlorophenyl)methoxy]-2-hydroxyphenyl]methylideneamino]urea;hydrochloride
CID 174742481
4-chloro-N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 2691887
2-[[(3,4-Dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 4187918
2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol
CID 4739505
5-Propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 5096022
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245586

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol?
The IUPAC name of 2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol (CID 137316385) is 2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol.
What is the SMILES notation for 2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol?
The canonical SMILES for 2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol is CCOc1ccc(/C=N/NCc2ccc(Cl)c(Cl)c2)c(O)c1.
What is the InChIKey of 2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol?
The InChIKey is LDGANVFQUSSQNM-KEBDBYFISA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-2-22-13-5-4-12(16(21)8-13)10-20-19-9-11-3-6-14(17)15(18)7-11/h3-8,10,19,21H,2,9H2,1H3/b20-10+.
What are the key properties of 2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol?
2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol has a molecular weight of 339.22 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol is sourced from PubChem (CID 137316385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).