5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

C16H15Cl3N2O2 — CID 5096022

IUPAC5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESCCCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C16H15Cl3N2O2/c1-2-5-23-12-4-3-10(15(22)8-12)9-20-21-16-13(18)6-11(17)7-14(16)19/h3-4,6-9,21-22H,2,5H2,1H3
InChIKeyJSUCPPJDFXIXHP-UHFFFAOYSA-N
MW373.67 g/mol
LogP5.59
Rot. Bonds6

About 5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 5096022) has the molecular formula C16H15Cl3N2O2 and a molecular weight of 373.67 g/mol. Its IUPAC name is 5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
PubChem CID5096022
Molecular FormulaC16H15Cl3N2O2
Molecular Weight373.67 g/mol
Exact Mass372.02
IUPAC Name5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESCCCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C16H15Cl3N2O2/c1-2-5-23-12-4-3-10(15(22)8-12)9-20-21-16-13(18)6-11(17)7-14(16)19/h3-4,6-9,21-22H,2,5H2,1H3
InChIKeyJSUCPPJDFXIXHP-UHFFFAOYSA-N
XLogP5.59
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 55.59
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 5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (CID 5096022) is 5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is CCCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is JSUCPPJDFXIXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O2/c1-2-5-23-12-4-3-10(15(22)8-12)9-20-21-16-13(18)6-11(17)7-14(16)19/h3-4,6-9,21-22H,2,5H2,1H3.
What are the key properties of 5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 373.67 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 5096022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).