4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol

C13H10Cl2N2O2 — CID 136794511

IUPAC4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol
SMILESOCc1cc(/N=N/c2ccc(Cl)c(Cl)c2)ccc1O
InChIInChI=1S/C13H10Cl2N2O2/c14-11-3-1-10(6-12(11)15)17-16-9-2-4-13(19)8(5-9)7-18/h1-6,18-19H,7H2/b17-16+
InChIKeyRSLABEXYGFUJPC-WUKNDPDISA-N
MW297.14 g/mol
LogP4.61
Rot. Bonds3

About 4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol

4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol (PubChem CID 136794511) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol
PubChem CID136794511
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol
SMILESOCc1cc(/N=N/c2ccc(Cl)c(Cl)c2)ccc1O
InChIInChI=1S/C13H10Cl2N2O2/c14-11-3-1-10(6-12(11)15)17-16-9-2-4-13(19)8(5-9)7-18/h1-6,18-19H,7H2/b17-16+
InChIKeyRSLABEXYGFUJPC-WUKNDPDISA-N
XLogP4.61
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136794284
2-(hydroxymethyl)-4-[(4-nitrosophenyl)diazenyl]phenol
CID 136617946
2-(hydroxymethyl)-4-[(3-methylphenyl)diazenyl]phenol
CID 136794286
2-(hydroxymethyl)-4-isocyanatophenol
CID 163547093
4-[(2-fluoro-4-iodophenyl)diazenyl]-2-(hydroxymethyl)phenol
CID 136845624
4-[(3-ethynylphenyl)diazenyl]-2-(hydroxymethyl)phenol
CID 136791477
2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136794349
2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol
CID 5107707
4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol
CID 163811607
2-chloro-5-(hydroxymethyl)benzene-1,4-diol
CID 55253170
2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
CID 176556614
4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol
CID 681130

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol?
The IUPAC name of 4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol (CID 136794511) is 4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol is OCc1cc(/N=N/c2ccc(Cl)c(Cl)c2)ccc1O.
What is the InChIKey of 4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol?
The InChIKey is RSLABEXYGFUJPC-WUKNDPDISA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-11-3-1-10(6-12(11)15)17-16-9-2-4-13(19)8(5-9)7-18/h1-6,18-19H,7H2/b17-16+.
What are the key properties of 4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol?
4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol has a molecular weight of 297.14 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)diazenyl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 136794511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).