[phenyl(phenyldiazenyl)methyl] formate

C14H12N2O2 — CID 173083254

IUPAC[phenyl(phenyldiazenyl)methyl] formate
SMILESO=COC(/N=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-11-18-14(12-7-3-1-4-8-12)16-15-13-9-5-2-6-10-13/h1-11,14H/b16-15+
InChIKeyOIDGBWBOCHWXJU-FOCLMDBBSA-N
MW240.26 g/mol
LogP3.64
Rot. Bonds5

About [phenyl(phenyldiazenyl)methyl] formate

[phenyl(phenyldiazenyl)methyl] formate (PubChem CID 173083254) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is [phenyl(phenyldiazenyl)methyl] formate.

Molecular Properties

Compound Name[phenyl(phenyldiazenyl)methyl] formate
PubChem CID173083254
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name[phenyl(phenyldiazenyl)methyl] formate
SMILESO=COC(/N=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-11-18-14(12-7-3-1-4-8-12)16-15-13-9-5-2-6-10-13/h1-11,14H/b16-15+
InChIKeyOIDGBWBOCHWXJU-FOCLMDBBSA-N
XLogP3.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze [phenyl(phenyldiazenyl)methyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-phenylethyl] formate
CID 76963066
[(1S)-2-amino-1-phenylpropyl] formate
CID 118541108
3,3-bis(4-phenyldiazenylphenyl)propanal
CID 174807739
methyl 2,4-dioxo-3-phenyldiazenylbutanoate
CID 91003916
2-[phenyl(phenyldiazenyl)methyl]propanedinitrile
CID 19435
1-benzhydrylsilylethyl formate
CID 123160635
diphenyldiazene;hydrofluoride
CID 174857584
(3-chloro-2-oxo-1-phenylpropyl) formate
CID 173431233
[phenyl(propoxy)methyl] formate
CID 54315137
2-[[phenyl(phenyldiazenyl)methyl]diazenyl]benzenethiol
CID 136638028
1-phenylpentyl formate
CID 54289292
(2-nitro-1-phenylethyl) formate
CID 57260888

Frequently Asked Questions

What is the IUPAC name of [phenyl(phenyldiazenyl)methyl] formate?
The IUPAC name of [phenyl(phenyldiazenyl)methyl] formate (CID 173083254) is [phenyl(phenyldiazenyl)methyl] formate.
What is the SMILES notation for [phenyl(phenyldiazenyl)methyl] formate?
The canonical SMILES for [phenyl(phenyldiazenyl)methyl] formate is O=COC(/N=N/c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(phenyldiazenyl)methyl] formate?
The InChIKey is OIDGBWBOCHWXJU-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-11-18-14(12-7-3-1-4-8-12)16-15-13-9-5-2-6-10-13/h1-11,14H/b16-15+.
What are the key properties of [phenyl(phenyldiazenyl)methyl] formate?
[phenyl(phenyldiazenyl)methyl] formate has a molecular weight of 240.26 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(phenyldiazenyl)methyl] formate is sourced from PubChem (CID 173083254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).