4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol

C14H10Cl4N2O — CID 170920225

IUPAC4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol
SMILESCC(/N=N/c1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C14H10Cl4N2O/c1-7(10-4-8(15)2-3-13(10)21)19-20-14-11(17)5-9(16)6-12(14)18/h2-7,21H,1H3/b20-19+
InChIKeyDUHVSJOYERZDCU-FMQUCBEESA-N
MW364.06 g/mol
LogP6.85
Rot. Bonds3

About 4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol

4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol (PubChem CID 170920225) has the molecular formula C14H10Cl4N2O and a molecular weight of 364.06 g/mol. Its IUPAC name is 4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol
PubChem CID170920225
Molecular FormulaC14H10Cl4N2O
Molecular Weight364.06 g/mol
Exact Mass361.95
IUPAC Name4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol
SMILESCC(/N=N/c1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C14H10Cl4N2O/c1-7(10-4-8(15)2-3-13(10)21)19-20-14-11(17)5-9(16)6-12(14)18/h2-7,21H,1H3/b20-19+
InChIKeyDUHVSJOYERZDCU-FMQUCBEESA-N
XLogP6.85
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.06
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
3-(5-chloro-2-hydroxyphenyl)butanoic acid
CID 131360559
2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde
CID 91013936
2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)diazenyl]phenol
CID 137077002
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
CID 131224816
4-chloro-2-(1-piperidin-1-ylethyl)phenol
CID 82977404
4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol
CID 82976879
4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol
CID 82981354
4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol
CID 82976841
2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 110884485
[chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene
CID 54512887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol (CID 170920225) is 4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol is CC(/N=N/c1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol?
The InChIKey is DUHVSJOYERZDCU-FMQUCBEESA-N. The full InChI is InChI=1S/C14H10Cl4N2O/c1-7(10-4-8(15)2-3-13(10)21)19-20-14-11(17)5-9(16)6-12(14)18/h2-7,21H,1H3/b20-19+.
What are the key properties of 4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol?
4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol has a molecular weight of 364.06 g/mol, XLogP of 6.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol is sourced from PubChem (CID 170920225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).