[2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate

C18H20N2O2 — CID 15013130

IUPAC[2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate
SMILESCC(=O)OC(Cc1ccc(C)cc1)/N=N/c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-13-4-8-16(9-5-13)12-18(22-15(3)21)20-19-17-10-6-14(2)7-11-17/h4-11,18H,12H2,1-3H3/b20-19+
InChIKeyLCUISJKJRKYXKA-FMQUCBEESA-N
MW296.37 g/mol
LogP4.52
Rot. Bonds5

About [2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate

[2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate (PubChem CID 15013130) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate
PubChem CID15013130
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate
SMILESCC(=O)OC(Cc1ccc(C)cc1)/N=N/c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-13-4-8-16(9-5-13)12-18(22-15(3)21)20-19-17-10-6-14(2)7-11-17/h4-11,18H,12H2,1-3H3/b20-19+
InChIKeyLCUISJKJRKYXKA-FMQUCBEESA-N
XLogP4.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Ethyl 5-(3-azidophenyl)-2-phenylpentanoate
CID 53238119
Ethyl 5-(4-azidophenyl)-2-phenylpentanoate
CID 53238346
Ethyl 4-(4-azidophenyl)-2-phenylbutanoate
CID 53238348
[3-[4-(Trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]diazenyl]propyl] acetate
CID 11847398
[3-(4-Fluorophenyl)-2-[(4-fluorophenyl)diazenyl]-2-methylpropyl] acetate
CID 101867443
Ethyl 4-Azidophenylacetate
CID 10703417
(3-Phenyl-2-phenyldiazenylpropyl) acetate
CID 102256502
[[(2-Methylphenyl)diazenyl]-phenylmethyl] acetate
CID 134935593
(2-Methyl-3-phenyl-2-phenyldiazenylpropyl) acetate
CID 135026274
[3-(4-Fluorophenyl)-2-[(4-fluorophenyl)diazenyl]propyl] acetate
CID 16091181
6-[4-[[4-(Trifluoromethyl)phenyl]diazenyl]phenyl]hexyl propanoate
CID 101128312
[(2S)-3-(4-fluorophenyl)-2-[(4-fluorophenyl)diazenyl]-2-methylpropyl] acetate
CID 101573417

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate?
The IUPAC name of [2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate (CID 15013130) is [2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate.
What is the SMILES notation for [2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate?
The canonical SMILES for [2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate is CC(=O)OC(Cc1ccc(C)cc1)/N=N/c1ccc(C)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate?
The InChIKey is LCUISJKJRKYXKA-FMQUCBEESA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-4-8-16(9-5-13)12-18(22-15(3)21)20-19-17-10-6-14(2)7-11-17/h4-11,18H,12H2,1-3H3/b20-19+.
What are the key properties of [2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate?
[2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate has a molecular weight of 296.37 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate is sourced from PubChem (CID 15013130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).