(2-phenyl-1-phenyldiazenylethyl) acetate

C16H16N2O2 — CID 15013129

IUPAC(2-phenyl-1-phenyldiazenylethyl) acetate
SMILESCC(=O)OC(Cc1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-13(19)20-16(12-14-8-4-2-5-9-14)18-17-15-10-6-3-7-11-15/h2-11,16H,12H2,1H3/b18-17+
InChIKeyNIVOIULMRYHHAQ-ISLYRVAYSA-N
MW268.32 g/mol
LogP3.90
Rot. Bonds5

About (2-phenyl-1-phenyldiazenylethyl) acetate

(2-phenyl-1-phenyldiazenylethyl) acetate (PubChem CID 15013129) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2-phenyl-1-phenyldiazenylethyl) acetate.

Molecular Properties

Compound Name(2-phenyl-1-phenyldiazenylethyl) acetate
PubChem CID15013129
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(2-phenyl-1-phenyldiazenylethyl) acetate
SMILESCC(=O)OC(Cc1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-13(19)20-16(12-14-8-4-2-5-9-14)18-17-15-10-6-3-7-11-15/h2-11,16H,12H2,1H3/b18-17+
InChIKeyNIVOIULMRYHHAQ-ISLYRVAYSA-N
XLogP3.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.90
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

Benzenepropanoic acid, 4-(3-butyl-3-methyl-1-triazenyl)-, ethyl ester
CID 64864
Ethyl 5-(3-azidophenyl)-2-phenylpentanoate
CID 53238119
Ethyl 5-(4-azidophenyl)-2-phenylpentanoate
CID 53238346
Ethyl 4-(3-azidophenyl)-2-phenylbutanoate
CID 53238347
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
[Diphenyl(phenyldiazenyl)methyl] acetate
CID 243551
[(2R,3R)-3-azido-3-phenyl-2-phenylselanylpropyl] acetate
CID 10690785
2-(4-Aminophenyl)ethyl acetate
CID 141831
Ethyl 4-Azidophenylacetate
CID 10703417
5-Phenyl-3H-1,2-benzodiazepine-3-carboxylic acid ethyl ester
CID 14782994

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1-phenyldiazenylethyl) acetate?
The IUPAC name of (2-phenyl-1-phenyldiazenylethyl) acetate (CID 15013129) is (2-phenyl-1-phenyldiazenylethyl) acetate.
What is the SMILES notation for (2-phenyl-1-phenyldiazenylethyl) acetate?
The canonical SMILES for (2-phenyl-1-phenyldiazenylethyl) acetate is CC(=O)OC(Cc1ccccc1)/N=N/c1ccccc1.
What is the InChIKey of (2-phenyl-1-phenyldiazenylethyl) acetate?
The InChIKey is NIVOIULMRYHHAQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-13(19)20-16(12-14-8-4-2-5-9-14)18-17-15-10-6-3-7-11-15/h2-11,16H,12H2,1H3/b18-17+.
What are the key properties of (2-phenyl-1-phenyldiazenylethyl) acetate?
(2-phenyl-1-phenyldiazenylethyl) acetate has a molecular weight of 268.32 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1-phenyldiazenylethyl) acetate is sourced from PubChem (CID 15013129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).