ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde

C21H20N4O2 — CID 136654998

IUPACethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde
SMILESCC.O=Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C19H14N4O2.C2H6/c24-13-14-1-3-15(4-2-14)20-21-16-5-7-17(8-6-16)22-23-18-9-11-19(25)12-10-18;1-2/h1-13,25H;1-2H3/b21-20+,23-22+;
InChIKeyBQOZOIOKCHZBSO-MEGFSGQBSA-N
MW360.42 g/mol
LogP7.06
Rot. Bonds5

About ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde

ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde (PubChem CID 136654998) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde.

Molecular Properties

Compound Nameethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde
PubChem CID136654998
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Nameethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde
SMILESCC.O=Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C19H14N4O2.C2H6/c24-13-14-1-3-15(4-2-14)20-21-16-5-7-17(8-6-16)22-23-18-9-11-19(25)12-10-18;1-2/h1-13,25H;1-2H3/b21-20+,23-22+;
InChIKeyBQOZOIOKCHZBSO-MEGFSGQBSA-N
XLogP7.06
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;4-hydroxybenzaldehyde
CID 86610069
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
ethanol;4-hydroxybenzaldehyde
CID 172788634
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
chloroethane;4-hydroxybenzaldehyde
CID 174574301
fluoroform;4-hydroxybenzaldehyde
CID 158009924
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde
CID 129101740
2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde
CID 158794546
4-[(Z)-2-[4-(dimethylaminodiazenyl)phenyl]ethenyl]phenol
CID 174506798
4-hydroxybenzaldehyde;5-[(4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 159254163
(4-methylphenyl) 4-[(4-formylphenyl)diazenyl]benzoate
CID 145376836

Frequently Asked Questions

What is the IUPAC name of ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde?
The IUPAC name of ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde (CID 136654998) is ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde.
What is the SMILES notation for ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde?
The canonical SMILES for ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde is CC.O=Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde?
The InChIKey is BQOZOIOKCHZBSO-MEGFSGQBSA-N. The full InChI is InChI=1S/C19H14N4O2.C2H6/c24-13-14-1-3-15(4-2-14)20-21-16-5-7-17(8-6-16)22-23-18-9-11-19(25)12-10-18;1-2/h1-13,25H;1-2H3/b21-20+,23-22+;.
What are the key properties of ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde?
ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde has a molecular weight of 360.42 g/mol, XLogP of 7.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde is sourced from PubChem (CID 136654998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).