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

C9H10Cl2N2O2 — CID 135445532

IUPAC2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol
SMILESOCCN/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H10Cl2N2O2/c10-7-3-6(5-13-12-1-2-14)9(15)8(11)4-7/h3-5,12,14-15H,1-2H2/b13-5+
InChIKeyOMTIMYCPJOSFDR-WLRTZDKTSA-N
MW249.10 g/mol
LogP1.61
Rot. Bonds4

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

2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol (PubChem CID 135445532) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol
PubChem CID135445532
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol
SMILESOCCN/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H10Cl2N2O2/c10-7-3-6(5-13-12-1-2-14)9(15)8(11)4-7/h3-5,12,14-15H,1-2H2/b13-5+
InChIKeyOMTIMYCPJOSFDR-WLRTZDKTSA-N
XLogP1.61
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135438167
4-[3-[(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]propyl]-1,4-dihydropyrazol-5-one
CID 2803665
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
2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 135545702
3,5-Dichloro-2-hydroxybenzaldehyde oxime
CID 135408734
2,4-Dichloro-6-((2-hydroxy-ethylimino)-methyl)-phenol
CID 2731517
(6E)-2,4-dichloro-6-[[2-[(E)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
CID 135418722
2,4-Dichloro-6-[(2-hydroxyethylhydrazinylidene)methyl]phenol
CID 2798151
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(3-methoxypropyl)thiourea
CID 135502259
1-Propanol, 2-[(3,5-dichlorosalicylidene)amino]-2-methyl-
CID 272307

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol (CID 135445532) is 2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol is OCCN/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol?
The InChIKey is OMTIMYCPJOSFDR-WLRTZDKTSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c10-7-3-6(5-13-12-1-2-14)9(15)8(11)4-7/h3-5,12,14-15H,1-2H2/b13-5+.
What are the key properties of 2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol?
2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol has a molecular weight of 249.10 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-(2-hydroxyethylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135445532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).