(3-phenyl-2-phenyldiazenylpropyl) acetate

C17H18N2O2 — CID 102256502

IUPAC(3-phenyl-2-phenyldiazenylpropyl) acetate
SMILESCC(=O)OCC(Cc1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-14(20)21-13-17(12-15-8-4-2-5-9-15)19-18-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3/b19-18+
InChIKeyCUTJUWLPKYKNMK-VHEBQXMUSA-N
MW282.34 g/mol
LogP3.94
Rot. Bonds6

About (3-phenyl-2-phenyldiazenylpropyl) acetate

(3-phenyl-2-phenyldiazenylpropyl) acetate (PubChem CID 102256502) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3-phenyl-2-phenyldiazenylpropyl) acetate.

Molecular Properties

Compound Name(3-phenyl-2-phenyldiazenylpropyl) acetate
PubChem CID102256502
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3-phenyl-2-phenyldiazenylpropyl) acetate
SMILESCC(=O)OCC(Cc1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-14(20)21-13-17(12-15-8-4-2-5-9-15)19-18-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3/b19-18+
InChIKeyCUTJUWLPKYKNMK-VHEBQXMUSA-N
XLogP3.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.94
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
[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
[(3S,4R)-4-azido-4-phenyl-3-phenylselanylbutyl] acetate
CID 10572330
[(2R,3R)-3-azido-3-phenyl-2-phenylselanylpropyl] acetate
CID 10690785
Ethyl 3-oxo-3-phenyl-2-[(e)-phenyldiazenyl]propanoate
CID 227288
[(4S,5R)-5-azido-5-phenyl-4-phenylselanylpentyl] acetate
CID 10668786
5-Phenyl-3H-1,2-benzodiazepine-3-carboxylic acid ethyl ester
CID 14782994
[2-(4-Methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate
CID 15013130
methyl (2S)-3-phenyl-2-(phenyliminomethylideneamino)propanoate
CID 102204915
[3-(2-Chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate
CID 102256503
Methyl phenyliminophenylalaninate
CID 129842725

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-2-phenyldiazenylpropyl) acetate?
The IUPAC name of (3-phenyl-2-phenyldiazenylpropyl) acetate (CID 102256502) is (3-phenyl-2-phenyldiazenylpropyl) acetate.
What is the SMILES notation for (3-phenyl-2-phenyldiazenylpropyl) acetate?
The canonical SMILES for (3-phenyl-2-phenyldiazenylpropyl) acetate is CC(=O)OCC(Cc1ccccc1)/N=N/c1ccccc1.
What is the InChIKey of (3-phenyl-2-phenyldiazenylpropyl) acetate?
The InChIKey is CUTJUWLPKYKNMK-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-14(20)21-13-17(12-15-8-4-2-5-9-15)19-18-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3/b19-18+.
What are the key properties of (3-phenyl-2-phenyldiazenylpropyl) acetate?
(3-phenyl-2-phenyldiazenylpropyl) acetate has a molecular weight of 282.34 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-2-phenyldiazenylpropyl) acetate is sourced from PubChem (CID 102256502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).