4-[(4-dodecylphenyl)diazenyl]phenol

C24H34N2O — CID 135625479

IUPAC4-[(4-dodecylphenyl)diazenyl]phenol
SMILESCCCCCCCCCCCCc1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C24H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-15-22(16-14-21)25-26-23-17-19-24(27)20-18-23/h13-20,27H,2-12H2,1H3/b26-25+
InChIKeyZLJDSDUACHVLEO-OCEACIFDSA-N
MW366.55 g/mol
LogP8.27
Rot. Bonds13

About 4-[(4-dodecylphenyl)diazenyl]phenol

4-[(4-dodecylphenyl)diazenyl]phenol (PubChem CID 135625479) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 4-[(4-dodecylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(4-dodecylphenyl)diazenyl]phenol
PubChem CID135625479
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name4-[(4-dodecylphenyl)diazenyl]phenol
SMILESCCCCCCCCCCCCc1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C24H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-15-22(16-14-21)25-26-23-17-19-24(27)20-18-23/h13-20,27H,2-12H2,1H3/b26-25+
InChIKeyZLJDSDUACHVLEO-OCEACIFDSA-N
XLogP8.27
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 58.27
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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Related Compounds

bis(4-decylphenyl)diazene
CID 71359462
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
methanolate;nickel(3+);4-octylphenol
CID 159960852
calcium;4-dodecylphenol;hydride;sulfane
CID 174796411
(4-fluorophenyl)-(4-octylphenyl)diazene
CID 172555601
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328

Frequently Asked Questions

What is the IUPAC name of 4-[(4-dodecylphenyl)diazenyl]phenol?
The IUPAC name of 4-[(4-dodecylphenyl)diazenyl]phenol (CID 135625479) is 4-[(4-dodecylphenyl)diazenyl]phenol.
What is the SMILES notation for 4-[(4-dodecylphenyl)diazenyl]phenol?
The canonical SMILES for 4-[(4-dodecylphenyl)diazenyl]phenol is CCCCCCCCCCCCc1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-dodecylphenyl)diazenyl]phenol?
The InChIKey is ZLJDSDUACHVLEO-OCEACIFDSA-N. The full InChI is InChI=1S/C24H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-15-22(16-14-21)25-26-23-17-19-24(27)20-18-23/h13-20,27H,2-12H2,1H3/b26-25+.
What are the key properties of 4-[(4-dodecylphenyl)diazenyl]phenol?
4-[(4-dodecylphenyl)diazenyl]phenol has a molecular weight of 366.55 g/mol, XLogP of 8.27, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-dodecylphenyl)diazenyl]phenol is sourced from PubChem (CID 135625479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).