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

C15H14Cl2N2O2 — CID 4187918

IUPAC2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
SMILESCCOc1ccc(C=NNc2ccc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-2-21-12-5-3-10(15(20)8-12)9-18-19-11-4-6-13(16)14(17)7-11/h3-9,19-20H,2H2,1H3
InChIKeyKPZWJPADORYPEO-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.54
Rot. Bonds5

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

2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol (PubChem CID 4187918) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
PubChem CID4187918
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
SMILESCCOc1ccc(C=NNc2ccc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-2-21-12-5-3-10(15(20)8-12)9-18-19-11-4-6-13(16)14(17)7-11/h3-9,19-20H,2H2,1H3
InChIKeyKPZWJPADORYPEO-UHFFFAOYSA-N
XLogP4.54
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.54
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol?
The IUPAC name of 2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol (CID 4187918) is 2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol.
What is the SMILES notation for 2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol?
The canonical SMILES for 2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol is CCOc1ccc(C=NNc2ccc(Cl)c(Cl)c2)c(O)c1.
What is the InChIKey of 2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol?
The InChIKey is KPZWJPADORYPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-21-12-5-3-10(15(20)8-12)9-18-19-11-4-6-13(16)14(17)7-11/h3-9,19-20H,2H2,1H3.
What are the key properties of 2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol?
2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol has a molecular weight of 325.20 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol is sourced from PubChem (CID 4187918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).