2,4-dichloro-6-ethanehydrazonoylphenol

C8H8Cl2N2O — CID 135541682

IUPAC2,4-dichloro-6-ethanehydrazonoylphenol
SMILESC/C(=N\N)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H8Cl2N2O/c1-4(12-11)6-2-5(9)3-7(10)8(6)13/h2-3,13H,11H2,1H3/b12-4+
InChIKeyCASVZNKXIBRZOU-UUILKARUSA-N
MW219.07 g/mol
LogP2.38
Rot. Bonds1

About 2,4-dichloro-6-ethanehydrazonoylphenol

2,4-dichloro-6-ethanehydrazonoylphenol (PubChem CID 135541682) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 2,4-dichloro-6-ethanehydrazonoylphenol.

Molecular Properties

Compound Name2,4-dichloro-6-ethanehydrazonoylphenol
PubChem CID135541682
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name2,4-dichloro-6-ethanehydrazonoylphenol
SMILESC/C(=N\N)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H8Cl2N2O/c1-4(12-11)6-2-5(9)3-7(10)8(6)13/h2-3,13H,11H2,1H3/b12-4+
InChIKeyCASVZNKXIBRZOU-UUILKARUSA-N
XLogP2.38
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

2,4-dichloro-6-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
CID 136912842
2,4-dichloro-6-[N-(2-chloroethyl)-C-methylcarbonimidoyl]phenol
CID 136648944
[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]thiourea
CID 2803900
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383
2,4-dichloro-6-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenol
CID 135846344
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane
CID 145310066
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 137138457
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-ethoxybenzenesulfonamide
CID 135683893

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-ethanehydrazonoylphenol?
The IUPAC name of 2,4-dichloro-6-ethanehydrazonoylphenol (CID 135541682) is 2,4-dichloro-6-ethanehydrazonoylphenol.
What is the SMILES notation for 2,4-dichloro-6-ethanehydrazonoylphenol?
The canonical SMILES for 2,4-dichloro-6-ethanehydrazonoylphenol is C/C(=N\N)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-ethanehydrazonoylphenol?
The InChIKey is CASVZNKXIBRZOU-UUILKARUSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c1-4(12-11)6-2-5(9)3-7(10)8(6)13/h2-3,13H,11H2,1H3/b12-4+.
What are the key properties of 2,4-dichloro-6-ethanehydrazonoylphenol?
2,4-dichloro-6-ethanehydrazonoylphenol has a molecular weight of 219.07 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-ethanehydrazonoylphenol is sourced from PubChem (CID 135541682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).