4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol

C16H18N2O — CID 135442098

IUPAC4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol
SMILESCc1cccc(C)c1/N=N/c1c(C)cc(O)cc1C
InChIInChI=1S/C16H18N2O/c1-10-6-5-7-11(2)15(10)17-18-16-12(3)8-14(19)9-13(16)4/h5-9,19H,1-4H3/b18-17+
InChIKeySWHNYDMLYMUMPA-ISLYRVAYSA-N
MW254.33 g/mol
LogP5.04
Rot. Bonds2

About 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol

4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol (PubChem CID 135442098) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol
PubChem CID135442098
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol
SMILESCc1cccc(C)c1/N=N/c1c(C)cc(O)cc1C
InChIInChI=1S/C16H18N2O/c1-10-6-5-7-11(2)15(10)17-18-16-12(3)8-14(19)9-13(16)4/h5-9,19H,1-4H3/b18-17+
InChIKeySWHNYDMLYMUMPA-ISLYRVAYSA-N
XLogP5.04
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.33
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-Amino-3,5-dimethylphenol
CID 76543
4-Amino-m-cresol
CID 17819
3-Methyl-4-(2-phenyldiazenyl)phenol
CID 74030
3,5-Dimethyl-4-nitrophenol
CID 138466
4-(Phenylazo)-o-cresol
CID 101340
3,5-Dimethyl-4-nitrosophenol
CID 236019
4-(Dimethylamino)-3,5-dimethylphenol
CID 22499
4-{(E)-[4-(Propan-2-Yl)phenyl]diazenyl}phenol
CID 135566558
Phenol, 4-(2-(4-aminophenyl)diazenyl)-3-methyl-
CID 113133
4-(4-Methylphenylazo)phenol
CID 2827322
4-Amino-3-ethylphenol
CID 13666933
4-Isothiocyanato-3,5-dimethylphenol
CID 53434940

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol?
The IUPAC name of 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol (CID 135442098) is 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol is Cc1cccc(C)c1/N=N/c1c(C)cc(O)cc1C.
What is the InChIKey of 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol?
The InChIKey is SWHNYDMLYMUMPA-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-6-5-7-11(2)15(10)17-18-16-12(3)8-14(19)9-13(16)4/h5-9,19H,1-4H3/b18-17+.
What are the key properties of 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol?
4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol has a molecular weight of 254.33 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)diazenyl]-3,5-dimethylphenol is sourced from PubChem (CID 135442098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).