4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol

C10H12Cl2N2O — CID 91058274

IUPAC4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol
SMILESOCCCC/N=N/c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O/c11-8-3-4-9(12)10(7-8)14-13-5-1-2-6-15/h3-4,7,15H,1-2,5-6H2/b14-13+
InChIKeyVJQWJRQXKRMZLG-BUHFOSPRSA-N
MW247.12 g/mol
LogP3.85
Rot. Bonds5

About 4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol

4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol (PubChem CID 91058274) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol
PubChem CID91058274
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol
SMILESOCCCC/N=N/c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O/c11-8-3-4-9(12)10(7-8)14-13-5-1-2-6-15/h3-4,7,15H,1-2,5-6H2/b14-13+
InChIKeyVJQWJRQXKRMZLG-BUHFOSPRSA-N
XLogP3.85
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol?
The IUPAC name of 4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol (CID 91058274) is 4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol?
The canonical SMILES for 4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol is OCCCC/N=N/c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol?
The InChIKey is VJQWJRQXKRMZLG-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c11-8-3-4-9(12)10(7-8)14-13-5-1-2-6-15/h3-4,7,15H,1-2,5-6H2/b14-13+.
What are the key properties of 4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol?
4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol has a molecular weight of 247.12 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)diazenyl]butan-1-ol is sourced from PubChem (CID 91058274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).