2,4-dichloro-6-propanimidoylphenol

C9H9Cl2NO — CID 137130118

IUPAC2,4-dichloro-6-propanimidoylphenol
SMILES[H]/N=C(\CC)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H9Cl2NO/c1-2-8(12)6-3-5(10)4-7(11)9(6)13/h3-4,12-13H,2H2,1H3/b12-8+
InChIKeyPWEAPOSZXDBBBD-XYOKQWHBSA-N
MW218.08 g/mol
LogP3.48
Rot. Bonds2

About 2,4-dichloro-6-propanimidoylphenol

2,4-dichloro-6-propanimidoylphenol (PubChem CID 137130118) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 2,4-dichloro-6-propanimidoylphenol.

Molecular Properties

Compound Name2,4-dichloro-6-propanimidoylphenol
PubChem CID137130118
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name2,4-dichloro-6-propanimidoylphenol
SMILES[H]/N=C(\CC)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H9Cl2NO/c1-2-8(12)6-3-5(10)4-7(11)9(6)13/h3-4,12-13H,2H2,1H3/b12-8+
InChIKeyPWEAPOSZXDBBBD-XYOKQWHBSA-N
XLogP3.48
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichloro-6-methylphenol
CID 15292
2-[1-(3,5-Dichloro-2-hydroxyphenyl)ethylidene]-1-hydrazinecarboxamide
CID 135520619
Ethanone, 1-(3,5-dichloro-2-hydroxyphenyl)-, oxime
CID 135520614
4-Chloro-6-[1-(hydroxyamino)ethylidene]cyclohexa-2,4-dien-1-one
CID 135589127
2,4-Dichloro-6-ethylphenol
CID 212559
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CID 135445572
2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol
CID 135980484
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-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
CID 135445489

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-propanimidoylphenol?
The IUPAC name of 2,4-dichloro-6-propanimidoylphenol (CID 137130118) is 2,4-dichloro-6-propanimidoylphenol.
What is the SMILES notation for 2,4-dichloro-6-propanimidoylphenol?
The canonical SMILES for 2,4-dichloro-6-propanimidoylphenol is [H]/N=C(\CC)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-propanimidoylphenol?
The InChIKey is PWEAPOSZXDBBBD-XYOKQWHBSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-2-8(12)6-3-5(10)4-7(11)9(6)13/h3-4,12-13H,2H2,1H3/b12-8+.
What are the key properties of 2,4-dichloro-6-propanimidoylphenol?
2,4-dichloro-6-propanimidoylphenol has a molecular weight of 218.08 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-propanimidoylphenol is sourced from PubChem (CID 137130118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).