[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene

C18H22N2O — CID 20667899

IUPAC[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene
SMILESCCC(C)COc1ccc(/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-4-14(2)13-21-18-11-9-17(10-12-18)20-19-16-7-5-15(3)6-8-16/h5-12,14H,4,13H2,1-3H3/b20-19+
InChIKeyBWJPUHRLWIEQNG-FMQUCBEESA-N
MW282.39 g/mol
LogP5.84
Rot. Bonds6

About [4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene

[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene (PubChem CID 20667899) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene.

Molecular Properties

Compound Name[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene
PubChem CID20667899
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene
SMILESCCC(C)COc1ccc(/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-4-14(2)13-21-18-11-9-17(10-12-18)20-19-16-7-5-15(3)6-8-16/h5-12,14H,4,13H2,1-3H3/b20-19+
InChIKeyBWJPUHRLWIEQNG-FMQUCBEESA-N
XLogP5.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
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-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
CID 88604896
4-[(2S)-2-methylbutoxy]phenol
CID 1490310
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
1-(2,4-dimethylheptoxy)-4-methylbenzene
CID 144527074
[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
CID 90455432
1-(isocyanatomethyl)-4-(2-methylbutoxy)benzene
CID 163837675
[4-(2-methylbutoxy)phenyl]boronic acid
CID 62104576
[4-(2-methylbutoxy)phenyl] propanoate
CID 174669628
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
ethane;1-[(2R)-2-methylbutoxy]-4-methylsulfinylbenzene
CID 143417724

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene?
The IUPAC name of [4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene (CID 20667899) is [4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene.
What is the SMILES notation for [4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene?
The canonical SMILES for [4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene is CCC(C)COc1ccc(/N=N/c2ccc(C)cc2)cc1.
What is the InChIKey of [4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene?
The InChIKey is BWJPUHRLWIEQNG-FMQUCBEESA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-14(2)13-21-18-11-9-17(10-12-18)20-19-16-7-5-15(3)6-8-16/h5-12,14H,4,13H2,1-3H3/b20-19+.
What are the key properties of [4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene?
[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene has a molecular weight of 282.39 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene is sourced from PubChem (CID 20667899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).