2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol

C9H10Cl2N2O — CID 135580665

IUPAC2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol
SMILESCN(C)/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H10Cl2N2O/c1-13(2)12-5-6-3-7(10)4-8(11)9(6)14/h3-5,14H,1-2H3/b12-5+
InChIKeyNBCADGDFWGUZSH-LFYBBSHMSA-N
MW233.10 g/mol
LogP2.59
Rot. Bonds2

About 2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol

2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol (PubChem CID 135580665) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol
PubChem CID135580665
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol
SMILESCN(C)/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H10Cl2N2O/c1-13(2)12-5-6-3-7(10)4-8(11)9(6)14/h3-5,14H,1-2H3/b12-5+
InChIKeyNBCADGDFWGUZSH-LFYBBSHMSA-N
XLogP2.59
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Ethanone, 1-(3,5-dichloro-2-hydroxyphenyl)-, oxime
CID 135520614
N1-(tert-butyl)-2-(3,5-dichloro-2-hydroxybenzylidene)-1-methylhydrazine-1-carbothioamide
CID 135445518
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135438167
2-(Azepan-1-yliminomethyl)-4-chlorophenol
CID 255905
2,4-Dichloro-6-[[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]cyclohexyl]methyliminomethyl]phenol
CID 285493
(Z)-2,3-bis[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]but-2-enedinitrile
CID 2803625
1-[(3,5-dichloro-2-hydroxybenzylidene)amino]-4,6-dimethyl-2(1H)-pyridinone
CID 135418698
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dimethylpropyl)thiourea
CID 135445523
1-tert-butyl-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea
CID 135452580
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CID 135445572
N1-Ethyl-2-(3,5-dichloro-2-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135472962
N'',N'''-Bis[(3,5-dichloro-2-hydroxyphenyl)methylene]carbonic dihydrazide
CID 135533439

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol (CID 135580665) is 2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol is CN(C)/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol?
The InChIKey is NBCADGDFWGUZSH-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-13(2)12-5-6-3-7(10)4-8(11)9(6)14/h3-5,14H,1-2H3/b12-5+.
What are the key properties of 2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol?
2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol has a molecular weight of 233.10 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-(dimethylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135580665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).