2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol

C17H20N2O — CID 136862367

IUPAC2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol
SMILESCCc1cccc(CC)c1/N=N/c1cc(C)ccc1O
InChIInChI=1S/C17H20N2O/c1-4-13-7-6-8-14(5-2)17(13)19-18-15-11-12(3)9-10-16(15)20/h6-11,20H,4-5H2,1-3H3/b19-18+
InChIKeyCSDDZWYKYSWYPO-VHEBQXMUSA-N
MW268.36 g/mol
LogP5.24
Rot. Bonds4

About 2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol

2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol (PubChem CID 136862367) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol
PubChem CID136862367
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol
SMILESCCc1cccc(CC)c1/N=N/c1cc(C)ccc1O
InChIInChI=1S/C17H20N2O/c1-4-13-7-6-8-14(5-2)17(13)19-18-15-11-12(3)9-10-16(15)20/h6-11,20H,4-5H2,1-3H3/b19-18+
InChIKeyCSDDZWYKYSWYPO-VHEBQXMUSA-N
XLogP5.24
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.24
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

benzene;2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
CID 160570750
3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
CID 137200708
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
2-[(3,5-dimethylphenyl)diazenyl]-4-methylphenol
CID 3520182
2-ethylphenol;1,3-xylene
CID 174948528
[2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol
CID 5249734
5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
CID 1494896
1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
CID 3514586
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol
CID 135787784
ethane;2-ethyl-5-methylphenol
CID 142001660
N-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol?
The IUPAC name of 2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol (CID 136862367) is 2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol.
What is the SMILES notation for 2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol?
The canonical SMILES for 2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol is CCc1cccc(CC)c1/N=N/c1cc(C)ccc1O.
What is the InChIKey of 2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol?
The InChIKey is CSDDZWYKYSWYPO-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-13-7-6-8-14(5-2)17(13)19-18-15-11-12(3)9-10-16(15)20/h6-11,20H,4-5H2,1-3H3/b19-18+.
What are the key properties of 2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol?
2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol has a molecular weight of 268.36 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol is sourced from PubChem (CID 136862367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).