ethyl 2-(4-phenyldiazenylphenyl)acetate

C16H16N2O2 — CID 86675520

IUPACethyl 2-(4-phenyldiazenylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)12-13-8-10-15(11-9-13)18-17-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3/b18-17+
InChIKeyJZQFCJBZEILWHR-ISLYRVAYSA-N
MW268.32 g/mol
LogP4.21
Rot. Bonds5

About ethyl 2-(4-phenyldiazenylphenyl)acetate

ethyl 2-(4-phenyldiazenylphenyl)acetate (PubChem CID 86675520) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl 2-(4-phenyldiazenylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-phenyldiazenylphenyl)acetate
PubChem CID86675520
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Nameethyl 2-(4-phenyldiazenylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)12-13-8-10-15(11-9-13)18-17-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3/b18-17+
InChIKeyJZQFCJBZEILWHR-ISLYRVAYSA-N
XLogP4.21
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 ≤ 54.21
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 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-[4-(diaminomethylideneamino)phenyl]acetate
CID 119087282
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
ethyl 2-[4-(dimethylaminomethylideneamino)phenyl]acetate
CID 162718722
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
ethyl 2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetate
CID 168605980
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 3557006
ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
CID 70442423
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624
triethyl 2-(2-phenylacetyl)oxypropane-1,2,3-tricarboxylate
CID 175186027
CID 57459210
CID 57459210

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenyldiazenylphenyl)acetate?
The IUPAC name of ethyl 2-(4-phenyldiazenylphenyl)acetate (CID 86675520) is ethyl 2-(4-phenyldiazenylphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-phenyldiazenylphenyl)acetate?
The canonical SMILES for ethyl 2-(4-phenyldiazenylphenyl)acetate is CCOC(=O)Cc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of ethyl 2-(4-phenyldiazenylphenyl)acetate?
The InChIKey is JZQFCJBZEILWHR-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-20-16(19)12-13-8-10-15(11-9-13)18-17-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3/b18-17+.
What are the key properties of ethyl 2-(4-phenyldiazenylphenyl)acetate?
ethyl 2-(4-phenyldiazenylphenyl)acetate has a molecular weight of 268.32 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenyldiazenylphenyl)acetate is sourced from PubChem (CID 86675520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).